CID 167703925

C24H40BO10VW- — CID 167703925

IUPAC—
SMILES[B][C@H]1[CH-][C@H](OO)[C@@H](COC)C1.[CH2-]CC(=O)COC1OC(COC(C)=O)C(OC(C)=O)C(C)C1C.[CH3-].[V+2].[W]
InChIInChI=1S/C16H25O7.C7H12BO3.CH3.V.W/c1-6-13(19)7-21-16-10(3)9(2)15(22-12(5)18)14(23-16)8-20-11(4)17;1-10-4-5-2-6(8)3-7(5)11-9;;;/h9-10,14-16H,1,6-8H2,2-5H3;3,5-7,9H,2,4H2,1H3;1H3;;/q3*-1;+2;/t;5-,6-,7+;;;/m.1.../s1
InChIKeyGASXJXASVAPSEH-WODMHFAMSA-N
MW734.17 g/mol
LogP2.41
Rot. Bonds10

About CID 167703925

CID 167703925 (PubChem CID 167703925) has the molecular formula C24H40BO10VW- and a molecular weight of 734.17 g/mol.

Molecular Properties

Compound NameCID 167703925
PubChem CID167703925
Molecular FormulaC24H40BO10VW-
Molecular Weight734.17 g/mol
Exact Mass734.17
IUPAC Name—
SMILES[B][C@H]1[CH-][C@H](OO)[C@@H](COC)C1.[CH2-]CC(=O)COC1OC(COC(C)=O)C(OC(C)=O)C(C)C1C.[CH3-].[V+2].[W]
InChIInChI=1S/C16H25O7.C7H12BO3.CH3.V.W/c1-6-13(19)7-21-16-10(3)9(2)15(22-12(5)18)14(23-16)8-20-11(4)17;1-10-4-5-2-6(8)3-7(5)11-9;;;/h9-10,14-16H,1,6-8H2,2-5H3;3,5-7,9H,2,4H2,1H3;1H3;;/q3*-1;+2;/t;5-,6-,7+;;;/m.1.../s1
InChIKeyGASXJXASVAPSEH-WODMHFAMSA-N
XLogP2.41
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500734.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 167703925 with MolForge

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

Launch Full Analysis

Related Compounds

CID 167659199
CID 167659199
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(3R,6S)-3,6-diacetyloxy-5-methoxy-4-methyloxan-2-yl]methyl acetate
CID 155462846
10-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxydecanoic acid
CID 158748790
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 10416815
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
(3-acetyloxy-4-hydroxy-6-methoxy-5-methyloxan-2-yl)methyl acetate
CID 59701764
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529

Frequently Asked Questions

What is the IUPAC name of CID 167703925?
The IUPAC name of CID 167703925 (CID 167703925) is not available.
What is the SMILES notation for CID 167703925?
The canonical SMILES for CID 167703925 is [B][C@H]1[CH-][C@H](OO)[C@@H](COC)C1.[CH2-]CC(=O)COC1OC(COC(C)=O)C(OC(C)=O)C(C)C1C.[CH3-].[V+2].[W].
What is the InChIKey of CID 167703925?
The InChIKey is GASXJXASVAPSEH-WODMHFAMSA-N. The full InChI is InChI=1S/C16H25O7.C7H12BO3.CH3.V.W/c1-6-13(19)7-21-16-10(3)9(2)15(22-12(5)18)14(23-16)8-20-11(4)17;1-10-4-5-2-6(8)3-7(5)11-9;;;/h9-10,14-16H,1,6-8H2,2-5H3;3,5-7,9H,2,4H2,1H3;1H3;;/q3*-1;+2;/t;5-,6-,7+;;;/m.1.../s1.
What are the key properties of CID 167703925?
CID 167703925 has a molecular weight of 734.17 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167703925 is sourced from PubChem (CID 167703925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).