CID 164706434

C14H25B2O10P — CID 164706434

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(=O)(O)O[C@@H]2C(OC)[C@H]([B])O[C@@H]2COC)[C@H](OC)C1OC
InChIInChI=1S/C14H25B2O10P/c1-19-5-7-10(12(22-4)14(16)24-7)26-27(17,18)23-6-8-9(20-2)11(21-3)13(15)25-8/h7-14H,5-6H2,1-4H3,(H,17,18)/t7-,8-,9+,10+,11?,12?,13-,14-/m1/s1
InChIKeyXARFANFVBPMLHY-ABIUZUJGSA-N
MW405.94 g/mol
LogP-1.03
Rot. Bonds10

About CID 164706434

CID 164706434 (PubChem CID 164706434) has the molecular formula C14H25B2O10P and a molecular weight of 405.94 g/mol.

Molecular Properties

Compound NameCID 164706434
PubChem CID164706434
Molecular FormulaC14H25B2O10P
Molecular Weight405.94 g/mol
Exact Mass406.14
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(=O)(O)O[C@@H]2C(OC)[C@H]([B])O[C@@H]2COC)[C@H](OC)C1OC
InChIInChI=1S/C14H25B2O10P/c1-19-5-7-10(12(22-4)14(16)24-7)26-27(17,18)23-6-8-9(20-2)11(21-3)13(15)25-8/h7-14H,5-6H2,1-4H3,(H,17,18)/t7-,8-,9+,10+,11?,12?,13-,14-/m1/s1
InChIKeyXARFANFVBPMLHY-ABIUZUJGSA-N
XLogP-1.03
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.94
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 164706434?
The IUPAC name of CID 164706434 (CID 164706434) is not available.
What is the SMILES notation for CID 164706434?
The canonical SMILES for CID 164706434 is [B][C@@H]1O[C@H](COP(=O)(O)O[C@@H]2C(OC)[C@H]([B])O[C@@H]2COC)[C@H](OC)C1OC.
What is the InChIKey of CID 164706434?
The InChIKey is XARFANFVBPMLHY-ABIUZUJGSA-N. The full InChI is InChI=1S/C14H25B2O10P/c1-19-5-7-10(12(22-4)14(16)24-7)26-27(17,18)23-6-8-9(20-2)11(21-3)13(15)25-8/h7-14H,5-6H2,1-4H3,(H,17,18)/t7-,8-,9+,10+,11?,12?,13-,14-/m1/s1.
What are the key properties of CID 164706434?
CID 164706434 has a molecular weight of 405.94 g/mol, XLogP of -1.03, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164706434 is sourced from PubChem (CID 164706434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).