(3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one

C11H20O10 — CID 91329040

IUPAC(3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one
SMILESO=C(CO)[C@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C11H20O10/c12-1-4-7(17)8(18)9(19)10(21-4)11(20,5(15)2-13)6(16)3-14/h4-5,7-10,12-15,17-20H,1-3H2/t4-,5-,7+,8+,9-,10?,11+/m1/s1
InChIKeyORXMZCYYBOKTRK-QLGAYLKWSA-N
MW312.27 g/mol
LogP-5.53
Rot. Bonds6

About (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one

(3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one (PubChem CID 91329040) has the molecular formula C11H20O10 and a molecular weight of 312.27 g/mol. Its IUPAC name is (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one.

Molecular Properties

Compound Name(3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one
PubChem CID91329040
Molecular FormulaC11H20O10
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Name(3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one
SMILESO=C(CO)[C@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C11H20O10/c12-1-4-7(17)8(18)9(19)10(21-4)11(20,5(15)2-13)6(16)3-14/h4-5,7-10,12-15,17-20H,1-3H2/t4-,5-,7+,8+,9-,10?,11+/m1/s1
InChIKeyORXMZCYYBOKTRK-QLGAYLKWSA-N
XLogP-5.53
TPSA188.14 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 5-5.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one with MolForge

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Related Compounds

(2S,4S,5R,6R)-5-acetyl-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 25162920
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione
CID 129628330
4-beta-Glucosylmannose
CID 10042984
4-Galactosylxylose
CID 10267499
2,3,4,6-Tetraacetyl-beta-d-glucopyranose
CID 18646882
Galactosylgalactose
CID 18654346
Galactosylmannose
CID 18654347
(2S,3R,4R)-2,3,4,5-tetrahydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-1-one
CID 20753377
Glucopyranosyl-arabinonic acid
CID 21099559
4-beta-d-Galactosyl-d-glucose
CID 21967620
Galactosylglucose
CID 22801223
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]hexan-1-one
CID 22828205

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one?
The IUPAC name of (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one (CID 91329040) is (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one.
What is the SMILES notation for (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one?
The canonical SMILES for (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one is O=C(CO)[C@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.
What is the InChIKey of (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one?
The InChIKey is ORXMZCYYBOKTRK-QLGAYLKWSA-N. The full InChI is InChI=1S/C11H20O10/c12-1-4-7(17)8(18)9(19)10(21-4)11(20,5(15)2-13)6(16)3-14/h4-5,7-10,12-15,17-20H,1-3H2/t4-,5-,7+,8+,9-,10?,11+/m1/s1.
What are the key properties of (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one?
(3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one has a molecular weight of 312.27 g/mol, XLogP of -5.53, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3,4,5-tetrahydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentan-2-one is sourced from PubChem (CID 91329040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).