(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid

C5H8O5 — CID 177185447

IUPAC(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)[C@H]1CO[C@H](CO)O1
InChIInChI=1S/C5H8O5/c6-1-4-9-2-3(10-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m1/s1
InChIKeyQTUWYITVQZYCQT-DMTCNVIQSA-N
MW148.11 g/mol
LogP-1.20
Rot. Bonds2

About (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid

(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid (PubChem CID 177185447) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
PubChem CID177185447
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)[C@H]1CO[C@H](CO)O1
InChIInChI=1S/C5H8O5/c6-1-4-9-2-3(10-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m1/s1
InChIKeyQTUWYITVQZYCQT-DMTCNVIQSA-N
XLogP-1.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-1,3-dioxolane-4-carboxylic acid
CID 115094695
(2S,4R)-2-(2-methylpropanoyloxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185446
CID 158871362
CID 158871362
2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid
CID 115094671
2-(thian-2-ylmethyl)-1,3-dioxolane-4-carboxylic acid
CID 115094585
dipotassium;oxirane-2-carboxylic acid;dihydroxide
CID 174960947
(4R)-2-(phenylmethoxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185442
[(4R)-4-methyl-1,3-dioxolan-2-yl]methanol
CID 142218805
(3R,4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine-3-carboxylic acid
CID 68999663
2-(hydroxymethyl)-1,3-oxathiolane-5-carboxylic acid
CID 57320809
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid (CID 177185447) is (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid is O=C(O)[C@H]1CO[C@H](CO)O1.
What is the InChIKey of (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
The InChIKey is QTUWYITVQZYCQT-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8O5/c6-1-4-9-2-3(10-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m1/s1.
What are the key properties of (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
(2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid has a molecular weight of 148.11 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 177185447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).