Ribitol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name

Ribitol

DrugBank Accession Number

DB14704

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 152.1458
Monoisotopic: 152.068473494
Chemical Formula: C₅H₁₂O₅

Synonyms

(2R,3s,4S)-pentane-1,2,3,4,5-pentol
Adonitol
D-Adonitol
D-Ribitol
L-ribitol

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Pharmacology

Indication: Not Available
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Pharmacodynamics: Not Available
Mechanism of action: Not Available
Absorption: Not Available
Volume of distribution: Not Available
Protein binding: Not Available
Metabolism: Not Available
Route of elimination: Not Available
Half-life: Not Available
Clearance: Not Available
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Toxicity: Not Available
Pathways: Not Available
Pharmacogenomic Effects/ADRs: Not Available

Interactions

Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Chemical Identifiers

UNII: 353ZQ9TVDA
CAS number: 488-81-3
InChI Key: HEBKCHPVOIAQTA-ZXFHETKHSA-N
InChI: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
IUPAC Name: (2R,3s,4S)-pentane-1,2,3,4,5-pentol
SMILES: OC[C@H](O)[C@H](O)[C@H](O)CO

References

General References

Not Available

External Links

Human Metabolome Database: HMDB0000508
ChemSpider: 10254628
ChEBI: 15963
ChEMBL: CHEMBL3137744
ZINC: ZINC000100014205
PDBe Ligand: RB0
Wikipedia: Ribitol

PDB Entries

4f2d / 4q0s / 5iai / 6kaj / 6kam / 7cyy

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
3	Recruiting	Treatment	Limb-Girdle Muscular Dystrophy Type 2I (LGMD2I)	1

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	664.0 mg/mL	ALOGPS
logP	-2.5	ALOGPS
logP	-3.1	Chemaxon
logS	0.64	ALOGPS
pKa (Strongest Acidic)	12.76	Chemaxon
pKa (Strongest Basic)	-3	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	5	Chemaxon
Hydrogen Donor Count	5	Chemaxon
Polar Surface Area	101.15 Å²	Chemaxon
Rotatable Bond Count	4	Chemaxon
Refractivity	32.44 m³·mol^-1	Chemaxon
Polarizability	14.38 Å³	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	GC-MS	splash10-0fr2-0930000000-5a1a8471040df361537c
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)	GC-MS	splash10-0gba-0940000000-39c5ee90545f38856669
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	GC-MS	splash10-00di-8941000000-a1eac40beaba679b545b
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	GC-MS	splash10-00di-8930000000-85527d43cd5f10f959a8
GC-MS Spectrum - GC-MS (5 TMS)	GC-MS	splash10-0gb9-0962000000-9c177252fb79fd04ff8c
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-03dl-9100000000-738016d8bd07caed9ccc
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-0fr2-0930000000-5a1a8471040df361537c
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-0gba-0940000000-39c5ee90545f38856669
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-00di-8941000000-a1eac40beaba679b545b
GC-MS Spectrum - GC-EI-TOF	GC-MS	splash10-00di-8930000000-85527d43cd5f10f959a8
GC-MS Spectrum - GC-MS	GC-MS	splash10-0gb9-0962000000-9c177252fb79fd04ff8c
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	LC-MS/MS	splash10-00kb-9200000000-1c9444c33ee213e4aa4f
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	LC-MS/MS	splash10-05mo-9000000000-baf46067df2ebf3b854c
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	LC-MS/MS	splash10-0006-9000000000-3276d3005611fd3d415c
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-0udi-0901000000-7db5e452cb762f33fd3a
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-014j-8900000000-5ee7c2252ae88c5c0198
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-001i-0900000000-47c7512c4671bb121a01
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-001i-1900000000-b984613919de5add093c
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-0ufr-0901000000-616311fa40559ac618da
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-014j-7900000000-c947bd6b615b2019d255
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-000i-0900000000-c7e6bce3675a8cd1566b
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	LC-MS/MS	splash10-0a4i-0900000000-419f37e184ec82e4c123
LC-MS/MS Spectrum - LC-ESI-ITFT , positive	LC-MS/MS	splash10-014j-8900000000-e69cc8758936cd2cbcea
LC-MS/MS Spectrum - LC-ESI-ITFT , positive	LC-MS/MS	splash10-001i-0900000000-d6447ee4c80f85c44fef
LC-MS/MS Spectrum - LC-ESI-ITFT , positive	LC-MS/MS	splash10-001i-1900000000-67203d89ca337c3cd9d1
LC-MS/MS Spectrum - LC-ESI-ITFT , positive	LC-MS/MS	splash10-014j-7900000000-867bbfc363a4790dadc1
LC-MS/MS Spectrum - LC-ESI-ITFT , positive	LC-MS/MS	splash10-000i-0900000000-c7e6bce3675a8cd1566b
LC-MS/MS Spectrum - LC-ESI-ITFT , positive	LC-MS/MS	splash10-0a4i-0900000000-419f37e184ec82e4c123
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-2900000000-6c118583e36a682a7447
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-9200000000-d903335b43289aad81e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ox-9100000000-f918bfaf4772d11f22f5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ab9-9000000000-fae56ff80f55c755cce9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0007-9000000000-dfd220fad61a1a07bd1e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4l-9000000000-d85f91f3d336558cf063
1H NMR Spectrum	1D NMR	Not Applicable
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable
[1H,13C] 2D NMR Spectrum	2D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	129.0329069	predicted	DarkChem Lite v0.1.0
[M-H]-	129.2343069	predicted	DarkChem Lite v0.1.0
[M-H]-	132.86786	predicted	DeepCCS 1.0 (2019)
[M+H]+	129.4033069	predicted	DarkChem Lite v0.1.0
[M+H]+	130.1322069	predicted	DarkChem Lite v0.1.0
[M+H]+	135.26344	predicted	DeepCCS 1.0 (2019)
[M+Na]+	129.4478069	predicted	DarkChem Lite v0.1.0
[M+Na]+	129.5693069	predicted	DarkChem Lite v0.1.0
[M+Na]+	141.56102	predicted	DeepCCS 1.0 (2019)

Drug created at September 24, 2018 16:10 / Updated at June 12, 2020 16:53

Ribitol

Identification

Structure for Ribitol (DB14704)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)