CID 88945224

C14H24B4O7P — CID 88945224

IUPAC—
SMILES[B][B][C@@H]1O[C@H](COP([B])(=O)OC2[C@H]([B])O[C@H](COC)[C@@H]2C)[C@H](OC)C1C
InChIInChI=1S/C14H24B4O7P/c1-7-9(5-20-3)23-13(15)12(7)25-26(17,19)22-6-10-11(21-4)8(2)14(18-16)24-10/h7-14H,5-6H2,1-4H3/t7-,8?,9+,10+,11+,12?,13+,14+,26?/m0/s1
InChIKeyFJRFVYLYLDHVPL-FQVUIVRDSA-N
MW378.56 g/mol
LogP0.00
Rot. Bonds9

About CID 88945224

CID 88945224 (PubChem CID 88945224) has the molecular formula C14H24B4O7P and a molecular weight of 378.56 g/mol.

Molecular Properties

Compound NameCID 88945224
PubChem CID88945224
Molecular FormulaC14H24B4O7P
Molecular Weight378.56 g/mol
Exact Mass379.16
IUPAC Name—
SMILES[B][B][C@@H]1O[C@H](COP([B])(=O)OC2[C@H]([B])O[C@H](COC)[C@@H]2C)[C@H](OC)C1C
InChIInChI=1S/C14H24B4O7P/c1-7-9(5-20-3)23-13(15)12(7)25-26(17,19)22-6-10-11(21-4)8(2)14(18-16)24-10/h7-14H,5-6H2,1-4H3/t7-,8?,9+,10+,11+,12?,13+,14+,26?/m0/s1
InChIKeyFJRFVYLYLDHVPL-FQVUIVRDSA-N
XLogP0.00
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 88945224?
The IUPAC name of CID 88945224 (CID 88945224) is not available.
What is the SMILES notation for CID 88945224?
The canonical SMILES for CID 88945224 is [B][B][C@@H]1O[C@H](COP([B])(=O)OC2[C@H]([B])O[C@H](COC)[C@@H]2C)[C@H](OC)C1C.
What is the InChIKey of CID 88945224?
The InChIKey is FJRFVYLYLDHVPL-FQVUIVRDSA-N. The full InChI is InChI=1S/C14H24B4O7P/c1-7-9(5-20-3)23-13(15)12(7)25-26(17,19)22-6-10-11(21-4)8(2)14(18-16)24-10/h7-14H,5-6H2,1-4H3/t7-,8?,9+,10+,11+,12?,13+,14+,26?/m0/s1.
What are the key properties of CID 88945224?
CID 88945224 has a molecular weight of 378.56 g/mol, XLogP of 0.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88945224 is sourced from PubChem (CID 88945224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).