2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone

C6H10O6 — CID 90234479

IUPAC2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone
SMILESO=C(CO)C1O[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h3-7,9-11H,1H2/t3-,4+,5?,6+/m1/s1
InChIKeySRFCIPIHZDRJGJ-JTSAIASGSA-N
MW178.14 g/mol
LogP-3.01
Rot. Bonds2

About 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone

2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone (PubChem CID 90234479) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone
PubChem CID90234479
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone
SMILESO=C(CO)C1O[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h3-7,9-11H,1H2/t3-,4+,5?,6+/m1/s1
InChIKeySRFCIPIHZDRJGJ-JTSAIASGSA-N
XLogP-3.01
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 46173511
(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 7140379
1-[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethanone
CID 91170856
sodium (2S,3R,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 23664051
acetyl (2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 140603541
1-[(3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethanone
CID 11053121
methyl (2R,3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 124708413
(3S,4S)-oxolane-2,3,4,5-tetrol
CID 89085944
prop-2-enyl (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 67297062

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone (CID 90234479) is 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone is O=C(CO)C1O[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone?
The InChIKey is SRFCIPIHZDRJGJ-JTSAIASGSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h3-7,9-11H,1H2/t3-,4+,5?,6+/m1/s1.
What are the key properties of 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone?
2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone has a molecular weight of 178.14 g/mol, XLogP of -3.01, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone is sourced from PubChem (CID 90234479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).