(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid

C11H20O11 — CID 21099559

IUPAC(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid
SMILESO=C(O)[C@](O)(C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H20O11/c12-1-3(14)8(18)11(21,10(19)20)9-7(17)6(16)5(15)4(2-13)22-9/h3-9,12-18,21H,1-2H2,(H,19,20)/t3-,4-,5-,6+,7-,8-,9?,11-/m1/s1
InChIKeyOYBPYLMKWSRIPE-QTBZISQFSA-N
MW328.27 g/mol
LogP-5.64
Rot. Bonds6

About (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid

(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid (PubChem CID 21099559) has the molecular formula C11H20O11 and a molecular weight of 328.27 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid
PubChem CID21099559
Molecular FormulaC11H20O11
Molecular Weight328.27 g/mol
Exact Mass328.10
IUPAC Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid
SMILESO=C(O)[C@](O)(C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H20O11/c12-1-3(14)8(18)11(21,10(19)20)9-7(17)6(16)5(15)4(2-13)22-9/h3-9,12-18,21H,1-2H2,(H,19,20)/t3-,4-,5-,6+,7-,8-,9?,11-/m1/s1
InChIKeyOYBPYLMKWSRIPE-QTBZISQFSA-N
XLogP-5.64
TPSA208.37 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 5-5.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid?
The IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid (CID 21099559) is (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid.
What is the SMILES notation for (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid?
The canonical SMILES for (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid is O=C(O)[C@](O)(C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid?
The InChIKey is OYBPYLMKWSRIPE-QTBZISQFSA-N. The full InChI is InChI=1S/C11H20O11/c12-1-3(14)8(18)11(21,10(19)20)9-7(17)6(16)5(15)4(2-13)22-9/h3-9,12-18,21H,1-2H2,(H,19,20)/t3-,4-,5-,6+,7-,8-,9?,11-/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid?
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid has a molecular weight of 328.27 g/mol, XLogP of -5.64, 6 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanoic acid is sourced from PubChem (CID 21099559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).