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

C12H20O10 — CID 101289806

IUPAC(2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde
SMILESO=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1
InChIKeyJPLATTLXZFUKRQ-UVMZSPEXSA-N
MW324.28 g/mol
LogP-4.51
Rot. Bonds5

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

(2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde (PubChem CID 101289806) has the molecular formula C12H20O10 and a molecular weight of 324.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde
PubChem CID101289806
Molecular FormulaC12H20O10
Molecular Weight324.28 g/mol
Exact Mass324.11
IUPAC Name(2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde
SMILESO=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1
InChIKeyJPLATTLXZFUKRQ-UVMZSPEXSA-N
XLogP-4.51
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.28
LogP ≤ 5-4.51
H-Bond Donors ≤ 56
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)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde?
The IUPAC name of (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde (CID 101289806) is (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde?
The canonical SMILES for (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde is O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde?
The InChIKey is JPLATTLXZFUKRQ-UVMZSPEXSA-N. The full InChI is InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde?
(2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde has a molecular weight of 324.28 g/mol, XLogP of -4.51, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(2R,3S,4R)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde is sourced from PubChem (CID 101289806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).