CID 89182472

C8H16BO6P — CID 89182472

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OP(C)(=O)OC)[C@@H]1O
InChIInChI=1S/C8H16BO6P/c1-12-4-5-7(6(10)8(9)14-5)15-16(3,11)13-2/h5-8,10H,4H2,1-3H3/t5-,6+,7?,8-,16?/m1/s1
InChIKeyUBMCBYKSIYRAIB-WEFXZVQVSA-N
MW250.00 g/mol
LogP-0.26
Rot. Bonds5

About CID 89182472

CID 89182472 (PubChem CID 89182472) has the molecular formula C8H16BO6P and a molecular weight of 250.00 g/mol.

Molecular Properties

Compound NameCID 89182472
PubChem CID89182472
Molecular FormulaC8H16BO6P
Molecular Weight250.00 g/mol
Exact Mass250.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OP(C)(=O)OC)[C@@H]1O
InChIInChI=1S/C8H16BO6P/c1-12-4-5-7(6(10)8(9)14-5)15-16(3,11)13-2/h5-8,10H,4H2,1-3H3/t5-,6+,7?,8-,16?/m1/s1
InChIKeyUBMCBYKSIYRAIB-WEFXZVQVSA-N
XLogP-0.26
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
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 89182472?
The IUPAC name of CID 89182472 (CID 89182472) is not available.
What is the SMILES notation for CID 89182472?
The canonical SMILES for CID 89182472 is [B][C@@H]1O[C@H](COC)C(OP(C)(=O)OC)[C@@H]1O.
What is the InChIKey of CID 89182472?
The InChIKey is UBMCBYKSIYRAIB-WEFXZVQVSA-N. The full InChI is InChI=1S/C8H16BO6P/c1-12-4-5-7(6(10)8(9)14-5)15-16(3,11)13-2/h5-8,10H,4H2,1-3H3/t5-,6+,7?,8-,16?/m1/s1.
What are the key properties of CID 89182472?
CID 89182472 has a molecular weight of 250.00 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89182472 is sourced from PubChem (CID 89182472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).