CID 59297477

C10H19BO7P- — CID 59297477

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OP(C)(=O)[O-])[C@@H]1OCCOC
InChIInChI=1S/C10H20BO7P/c1-14-4-5-16-9-8(18-19(3,12)13)7(6-15-2)17-10(9)11/h7-10H,4-6H2,1-3H3,(H,12,13)/p-1/t7-,8?,9+,10-/m1/s1
InChIKeyWCNZBIGMIMTTNP-JOUUOIQHSA-M
MW293.04 g/mol
LogP-0.87
Rot. Bonds8

About CID 59297477

CID 59297477 (PubChem CID 59297477) has the molecular formula C10H19BO7P- and a molecular weight of 293.04 g/mol.

Molecular Properties

Compound NameCID 59297477
PubChem CID59297477
Molecular FormulaC10H19BO7P-
Molecular Weight293.04 g/mol
Exact Mass293.10
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OP(C)(=O)[O-])[C@@H]1OCCOC
InChIInChI=1S/C10H20BO7P/c1-14-4-5-16-9-8(18-19(3,12)13)7(6-15-2)17-10(9)11/h7-10H,4-6H2,1-3H3,(H,12,13)/p-1/t7-,8?,9+,10-/m1/s1
InChIKeyWCNZBIGMIMTTNP-JOUUOIQHSA-M
XLogP-0.87
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 59297477?
The IUPAC name of CID 59297477 (CID 59297477) is not available.
What is the SMILES notation for CID 59297477?
The canonical SMILES for CID 59297477 is [B][C@@H]1O[C@H](COC)C(OP(C)(=O)[O-])[C@@H]1OCCOC.
What is the InChIKey of CID 59297477?
The InChIKey is WCNZBIGMIMTTNP-JOUUOIQHSA-M. The full InChI is InChI=1S/C10H20BO7P/c1-14-4-5-16-9-8(18-19(3,12)13)7(6-15-2)17-10(9)11/h7-10H,4-6H2,1-3H3,(H,12,13)/p-1/t7-,8?,9+,10-/m1/s1.
What are the key properties of CID 59297477?
CID 59297477 has a molecular weight of 293.04 g/mol, XLogP of -0.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59297477 is sourced from PubChem (CID 59297477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).