(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol

C6H10O5 — CID 68865707

IUPAC(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol
SMILESC=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h3-10H,1H2/t3-,4+,5+,6+/m0/s1
InChIKeyORUHNCTXHIHJMM-SLPGGIOYSA-N
MW162.14 g/mol
LogP-1.50
Rot. Bonds1

About (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol

(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol (PubChem CID 68865707) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol
PubChem CID68865707
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol
SMILESC=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h3-10H,1H2/t3-,4+,5+,6+/m0/s1
InChIKeyORUHNCTXHIHJMM-SLPGGIOYSA-N
XLogP-1.50
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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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
(3S,4S)-oxolane-2,3,4,5-tetrol
CID 89085944
(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol
CID 67674540
(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol
CID 174954911
(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid
CID 129100402
(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 46173511
1-[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethanone
CID 91170856
(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 7140379
2-hydroxy-1-[(3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]ethanone
CID 90234479
sodium (2S,3R,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 23664051

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol (CID 68865707) is (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol is C=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol?
The InChIKey is ORUHNCTXHIHJMM-SLPGGIOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h3-10H,1H2/t3-,4+,5+,6+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol?
(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol has a molecular weight of 162.14 g/mol, XLogP of -1.50, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol is sourced from PubChem (CID 68865707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).