CID 90352396

C14H24B2O6P — CID 90352396

IUPAC—
SMILESCC[C@H](C)C1OC(OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1P[B]B=O
InChIInChI=1S/C14H24B2O6P/c1-6-7(2)11-13(23-16-15-19)8(3)12(20-9(4)17)14(22-11)21-10(5)18/h7-8,11-14,23H,6H2,1-5H3/t7-,8+,11?,12?,13-,14?/m0/s1
InChIKeyPQCKHBRYPHACDM-ZMVOOPBHSA-N
MW340.94 g/mol
LogP1.52
Rot. Bonds7

About CID 90352396

CID 90352396 (PubChem CID 90352396) has the molecular formula C14H24B2O6P and a molecular weight of 340.94 g/mol.

Molecular Properties

Compound NameCID 90352396
PubChem CID90352396
Molecular FormulaC14H24B2O6P
Molecular Weight340.94 g/mol
Exact Mass341.15
IUPAC Name—
SMILESCC[C@H](C)C1OC(OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1P[B]B=O
InChIInChI=1S/C14H24B2O6P/c1-6-7(2)11-13(23-16-15-19)8(3)12(20-9(4)17)14(22-11)21-10(5)18/h7-8,11-14,23H,6H2,1-5H3/t7-,8+,11?,12?,13-,14?/m0/s1
InChIKeyPQCKHBRYPHACDM-ZMVOOPBHSA-N
XLogP1.52
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 158520033
CID 158520033
CID 90352433
CID 90352433
CID 90352482
CID 90352482
CID 90352450
CID 90352450
[(3S,5S,6S)-2-acetyloxy-4,5,6-trimethyloxan-3-yl] acetate
CID 71182491
[(4S,5S)-6-[(2R)-1-(2-acetamidoethoxy)propan-2-yl]-2-acetyloxy-4,5-dimethyloxan-3-yl] acetate
CID 158465886
[(3S,4R,5R,6S)-2,3,5-triacetyloxy-6-[(1S)-1-acetyloxyethyl]oxan-4-yl] acetate
CID 173075340
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[(4S,5R)-2-acetyloxy-5-hydroxy-6-(hydroxymethyl)-4-methyloxan-3-yl] acetate
CID 174063951
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929

Frequently Asked Questions

What is the IUPAC name of CID 90352396?
The IUPAC name of CID 90352396 (CID 90352396) is not available.
What is the SMILES notation for CID 90352396?
The canonical SMILES for CID 90352396 is CC[C@H](C)C1OC(OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1P[B]B=O.
What is the InChIKey of CID 90352396?
The InChIKey is PQCKHBRYPHACDM-ZMVOOPBHSA-N. The full InChI is InChI=1S/C14H24B2O6P/c1-6-7(2)11-13(23-16-15-19)8(3)12(20-9(4)17)14(22-11)21-10(5)18/h7-8,11-14,23H,6H2,1-5H3/t7-,8+,11?,12?,13-,14?/m0/s1.
What are the key properties of CID 90352396?
CID 90352396 has a molecular weight of 340.94 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90352396 is sourced from PubChem (CID 90352396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).