(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride

C4H9ClO5 — CID 162317109

IUPAC(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
SMILESCl.O=C(O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C4H8O5.ClH/c5-1-2(6)3(7)4(8)9;/h2-3,5-7H,1H2,(H,8,9);1H/t2-,3+;/m0./s1
InChIKeyNHAXPAIYACYJKN-LJUKVTEVSA-N
MW172.56 g/mol
LogP-1.79
Rot. Bonds3

About (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride

(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride (PubChem CID 162317109) has the molecular formula C4H9ClO5 and a molecular weight of 172.56 g/mol. Its IUPAC name is (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
PubChem CID162317109
Molecular FormulaC4H9ClO5
Molecular Weight172.56 g/mol
Exact Mass172.01
IUPAC Name(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
SMILESCl.O=C(O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C4H8O5.ClH/c5-1-2(6)3(7)4(8)9;/h2-3,5-7H,1H2,(H,8,9);1H/t2-,3+;/m0./s1
InChIKeyNHAXPAIYACYJKN-LJUKVTEVSA-N
XLogP-1.79
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.56
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5-tetrahydroxypentanoic acid
CID 10264
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
(2R,3S)-2,3,4-trihydroxybutanoate
CID 162224671
2,3,4,5,6-pentahydroxyhexanoic acid;samarium
CID 174356569
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284
pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173246066
(2S,3S,4S,5S,6S)-2,3,4,5,6,7-hexahydroxyheptanoic acid
CID 3084118

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride?
The IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride (CID 162317109) is (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride.
What is the SMILES notation for (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride?
The canonical SMILES for (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride is Cl.O=C(O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride?
The InChIKey is NHAXPAIYACYJKN-LJUKVTEVSA-N. The full InChI is InChI=1S/C4H8O5.ClH/c5-1-2(6)3(7)4(8)9;/h2-3,5-7H,1H2,(H,8,9);1H/t2-,3+;/m0./s1.
What are the key properties of (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride?
(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride has a molecular weight of 172.56 g/mol, XLogP of -1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride is sourced from PubChem (CID 162317109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).