1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone

C7H12O6 — CID 91040181

IUPAC1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone
SMILESCC(=O)[C@]1(CO)O[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O6/c1-3(9)7(2-8)5(11)4(10)6(12)13-7/h4-6,8,10-12H,2H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyFOFWRAHXDKGPES-AXMZGBSTSA-N
MW192.17 g/mol
LogP-2.62
Rot. Bonds2

About 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone

1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone (PubChem CID 91040181) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone
PubChem CID91040181
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone
SMILESCC(=O)[C@]1(CO)O[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O6/c1-3(9)7(2-8)5(11)4(10)6(12)13-7/h4-6,8,10-12H,2H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyFOFWRAHXDKGPES-AXMZGBSTSA-N
XLogP-2.62
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-sorbosone furanose form
CID 25203461
alpha-D-3-Ketogluco-1,4-furanose
CID 101139752
1-[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]ethanone
CID 56624419
1-(3,4,5-Trihydroxyoxolan-2-yl)ethanone
CID 131863261
(3R,4S,5R,7S)-4,7-dihydroxy-1,6-dioxaspiro[2.4]heptane-5-carboxylic acid
CID 171116100
2-methyl-1-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]propan-1-one
CID 54307317
1-[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]ethanone
CID 76379038
1-[(3R,4R,5R)-2-acetyl-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]ethanone
CID 90787848
Ribo-hexofuranos-3-ulose
CID 129682716
2-Acetylarabinopyranose
CID 129693859
D-1-Deoxy-erythro-hexo-2,3-diulose
CID 131750927
1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone
CID 163003567

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone?
The IUPAC name of 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone (CID 91040181) is 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone is CC(=O)[C@]1(CO)O[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone?
The InChIKey is FOFWRAHXDKGPES-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H12O6/c1-3(9)7(2-8)5(11)4(10)6(12)13-7/h4-6,8,10-12H,2H2,1H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone?
1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone has a molecular weight of 192.17 g/mol, XLogP of -2.62, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]ethanone is sourced from PubChem (CID 91040181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).