(3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid

C6H10O5 — CID 59992912

IUPAC(3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid
SMILESO=C(O)C[C@@H](O)[C@@H]1OC1CO
InChIInChI=1S/C6H10O5/c7-2-4-6(11-4)3(8)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4?,6+/m1/s1
InChIKeyUXQWFPFCDBJAHC-UNEIAVTISA-N
MW162.14 g/mol
LogP-1.42
Rot. Bonds4

About (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid

(3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid (PubChem CID 59992912) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid
PubChem CID59992912
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid
SMILESO=C(O)C[C@@H](O)[C@@H]1OC1CO
InChIInChI=1S/C6H10O5/c7-2-4-6(11-4)3(8)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4?,6+/m1/s1
InChIKeyUXQWFPFCDBJAHC-UNEIAVTISA-N
XLogP-1.42
TPSA90.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetic acid
CID 134610723
3-methyl-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoic acid
CID 174516009
(1R)-1-[(2S,3R)-3-(nitrosomethyl)oxiran-2-yl]but-3-ene-1,3-diol
CID 163676443
(2S)-2-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
CID 168852763
2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
CID 14484618
(3R,4S,5R)-3,5,6-trihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
CID 59762884
(2S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]butanedioic acid
CID 42597871
3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
CID 171608180
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
2-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 142588205
tert-butyl N-[(1S)-2-hydroxy-1-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]ethyl]carbamate
CID 102114974
[(2S,3S)-3-but-3-en-2-yloxiran-2-yl]methanol
CID 5324179

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid?
The IUPAC name of (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid (CID 59992912) is (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid?
The canonical SMILES for (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid is O=C(O)C[C@@H](O)[C@@H]1OC1CO.
What is the InChIKey of (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid?
The InChIKey is UXQWFPFCDBJAHC-UNEIAVTISA-N. The full InChI is InChI=1S/C6H10O5/c7-2-4-6(11-4)3(8)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4?,6+/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid?
(3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid has a molecular weight of 162.14 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[(2S)-3-(hydroxymethyl)oxiran-2-yl]propanoic acid is sourced from PubChem (CID 59992912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).