1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one

C14H20O10 — CID 18646882

IUPAC1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one
SMILESCC(=O)C(O)[C@H]1O[C@@H](O)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O
InChIInChI=1S/C14H20O10/c1-5(15)9(19)10-12(21,6(2)16)14(23,8(4)18)13(22,7(3)17)11(20)24-10/h9-11,19-23H,1-4H3/t9?,10-,11-,12-,13+,14+/m1/s1
InChIKeyCKCRUEKHEVDQDC-DSVABHIPSA-N
MW348.30 g/mol
LogP-3.39
Rot. Bonds5

About 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one

1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one (PubChem CID 18646882) has the molecular formula C14H20O10 and a molecular weight of 348.30 g/mol. Its IUPAC name is 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one
PubChem CID18646882
Molecular FormulaC14H20O10
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Name1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one
SMILESCC(=O)C(O)[C@H]1O[C@@H](O)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O
InChIInChI=1S/C14H20O10/c1-5(15)9(19)10-12(21,6(2)16)14(23,8(4)18)13(22,7(3)17)11(20)24-10/h9-11,19-23H,1-4H3/t9?,10-,11-,12-,13+,14+/m1/s1
InChIKeyCKCRUEKHEVDQDC-DSVABHIPSA-N
XLogP-3.39
TPSA178.66 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 5-3.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one?
The IUPAC name of 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one (CID 18646882) is 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one.
What is the SMILES notation for 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one?
The canonical SMILES for 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one is CC(=O)C(O)[C@H]1O[C@@H](O)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O.
What is the InChIKey of 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one?
The InChIKey is CKCRUEKHEVDQDC-DSVABHIPSA-N. The full InChI is InChI=1S/C14H20O10/c1-5(15)9(19)10-12(21,6(2)16)14(23,8(4)18)13(22,7(3)17)11(20)24-10/h9-11,19-23H,1-4H3/t9?,10-,11-,12-,13+,14+/m1/s1.
What are the key properties of 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one?
1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one has a molecular weight of 348.30 g/mol, XLogP of -3.39, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyl-3,4,5,6-tetrahydroxyoxan-2-yl]propan-2-one is sourced from PubChem (CID 18646882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).