CID 90268150

C13H25BFO7P — CID 90268150

IUPAC—
SMILES[B][C@@H]1O[C@H](C(C)C(F)(CC)OP(=O)(O)C(O)CC)[C@@H](O)[C@H]1OC
InChIInChI=1S/C13H25BFO7P/c1-5-8(16)23(18,19)22-13(15,6-2)7(3)10-9(17)11(20-4)12(14)21-10/h7-12,16-17H,5-6H2,1-4H3,(H,18,19)/t7?,8?,9-,10-,11-,12-,13?/m1/s1
InChIKeyFMWXXJOJHCRSSL-LLNIZGAHSA-N
MW354.12 g/mol
LogP0.90
Rot. Bonds8

About CID 90268150

CID 90268150 (PubChem CID 90268150) has the molecular formula C13H25BFO7P and a molecular weight of 354.12 g/mol.

Molecular Properties

Compound NameCID 90268150
PubChem CID90268150
Molecular FormulaC13H25BFO7P
Molecular Weight354.12 g/mol
Exact Mass354.14
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C(C)C(F)(CC)OP(=O)(O)C(O)CC)[C@@H](O)[C@H]1OC
InChIInChI=1S/C13H25BFO7P/c1-5-8(16)23(18,19)22-13(15,6-2)7(3)10-9(17)11(20-4)12(14)21-10/h7-12,16-17H,5-6H2,1-4H3,(H,18,19)/t7?,8?,9-,10-,11-,12-,13?/m1/s1
InChIKeyFMWXXJOJHCRSSL-LLNIZGAHSA-N
XLogP0.90
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 50.90
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of CID 90268150?
The IUPAC name of CID 90268150 (CID 90268150) is not available.
What is the SMILES notation for CID 90268150?
The canonical SMILES for CID 90268150 is [B][C@@H]1O[C@H](C(C)C(F)(CC)OP(=O)(O)C(O)CC)[C@@H](O)[C@H]1OC.
What is the InChIKey of CID 90268150?
The InChIKey is FMWXXJOJHCRSSL-LLNIZGAHSA-N. The full InChI is InChI=1S/C13H25BFO7P/c1-5-8(16)23(18,19)22-13(15,6-2)7(3)10-9(17)11(20-4)12(14)21-10/h7-12,16-17H,5-6H2,1-4H3,(H,18,19)/t7?,8?,9-,10-,11-,12-,13?/m1/s1.
What are the key properties of CID 90268150?
CID 90268150 has a molecular weight of 354.12 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90268150 is sourced from PubChem (CID 90268150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).