(4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one

C10H16O8 — CID 91295556

IUPAC(4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one
SMILESO=C1OC[C@H](O)C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O8/c11-1-4-6(13)7(14)8(15)9(18-4)5-3(12)2-17-10(5)16/h3-9,11-15H,1-2H2/t3-,4+,5?,6+,7-,8+,9-/m0/s1
InChIKeyZNHPFUZJVQYCEP-QWRHDWLZSA-N
MW264.23 g/mol
LogP-3.64
Rot. Bonds2

About (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one

(4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one (PubChem CID 91295556) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one
PubChem CID91295556
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name(4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one
SMILESO=C1OC[C@H](O)C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O8/c11-1-4-6(13)7(14)8(15)9(18-4)5-3(12)2-17-10(5)16/h3-9,11-15H,1-2H2/t3-,4+,5?,6+,7-,8+,9-/m0/s1
InChIKeyZNHPFUZJVQYCEP-QWRHDWLZSA-N
XLogP-3.64
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-3.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(2S)-2-[(2R,3S,4R,5R,6R)-5-ethyl-6-[(2R,3R,4S,6R)-6-[(2R,3R,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid
CID 122746
2-(6-(6-(5'-Ethyl-2'-hydroxy-5'-(1-hydroxyethyl)-2,3',4-trimethyl(2,2'-bioxolan)-5-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-2-hydroxy-3,5-dimethyloxan-2-yl)propanoic acid
CID 163394
Ferensimycin B
CID 163395
Antibiotic X 14873A
CID 174677
(2S,4S,5R,6R)-5-acetyl-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 25162920
Botcinin H
CID 11529345
Lysocellin
CID 10258453
Angiopterlactone B
CID 44140152
Inostamycin
CID 3248752
2H-Pyran-2-acetic acid, alpha,5-diethyl-6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxybutyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2,4-dihydroxy-3-methyl-, (alphaR,2R,3S,4R,5S,6R)-
CID 124081057
Antibiotic X 14889C
CID 13491357
2-[[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]propanedioic acid
CID 46228254

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one?
The IUPAC name of (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one (CID 91295556) is (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one?
The canonical SMILES for (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one is O=C1OC[C@H](O)C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one?
The InChIKey is ZNHPFUZJVQYCEP-QWRHDWLZSA-N. The full InChI is InChI=1S/C10H16O8/c11-1-4-6(13)7(14)8(15)9(18-4)5-3(12)2-17-10(5)16/h3-9,11-15H,1-2H2/t3-,4+,5?,6+,7-,8+,9-/m0/s1.
What are the key properties of (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one?
(4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one has a molecular weight of 264.23 g/mol, XLogP of -3.64, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxolan-2-one is sourced from PubChem (CID 91295556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).