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

C11H20O10 — CID 10267499

IUPAC(2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal
SMILESO=C[C@H](O)[C@@H](O)[C@](O)(CO)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O10/c12-1-4(15)9(19)11(20,3-14)10-8(18)7(17)6(16)5(2-13)21-10/h1,4-10,13-20H,2-3H2/t4-,5+,6-,7-,8+,9+,10?,11+/m0/s1
InChIKeyBSRRIWAAIBZEBQ-QSTBWJLLSA-N
MW312.27 g/mol
LogP-5.53
Rot. Bonds6

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

(2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal (PubChem CID 10267499) has the molecular formula C11H20O10 and a molecular weight of 312.27 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal
PubChem CID10267499
Molecular FormulaC11H20O10
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Name(2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal
SMILESO=C[C@H](O)[C@@H](O)[C@](O)(CO)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O10/c12-1-4(15)9(19)11(20,3-14)10-8(18)7(17)6(16)5(2-13)21-10/h1,4-10,13-20H,2-3H2/t4-,5+,6-,7-,8+,9+,10?,11+/m0/s1
InChIKeyBSRRIWAAIBZEBQ-QSTBWJLLSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal?
The IUPAC name of (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal (CID 10267499) is (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal.
What is the SMILES notation for (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal?
The canonical SMILES for (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal is O=C[C@H](O)[C@@H](O)[C@](O)(CO)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal?
The InChIKey is BSRRIWAAIBZEBQ-QSTBWJLLSA-N. The full InChI is InChI=1S/C11H20O10/c12-1-4(15)9(19)11(20,3-14)10-8(18)7(17)6(16)5(2-13)21-10/h1,4-10,13-20H,2-3H2/t4-,5+,6-,7-,8+,9+,10?,11+/m0/s1.
What are the key properties of (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal?
(2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal 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 (2R,3R,4R)-2,3,4,5-tetrahydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal is sourced from PubChem (CID 10267499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).