D-Cysteine hydrochloride monohydrateProduct ingredient for D-Cysteine

Name
D-Cysteine hydrochloride monohydrate
Drug Entry
D-Cysteine

A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.

Accession Number
DBSALT001755
Structure
Synonyms
D-Cysteine HCl monohydrate
UNII
Not Available
CAS Number
32443-99-5
Weight
Average: 175.63
Monoisotopic: 175.0069921
Chemical Formula
C3H10ClNO3S
InChI Key
QIJRTFXNRTXDIP-YBBRRFGFSA-N
InChI
InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m1../s1
IUPAC Name
(2S)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride
SMILES
Cl[H].[H]O[H].N[C@H](CS)C(O)=O
ChemSpider
8351846
Predicted Properties
PropertyValueSource
Water Solubility23.1 mg/mLALOGPS
logP-2.6ALOGPS
logP-2.8Chemaxon
logS-0.72ALOGPS
pKa (Strongest Acidic)2.35Chemaxon
pKa (Strongest Basic)9.05Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity28.22 m3·mol-1Chemaxon
Polarizability11.4 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon