CID 159888747

C7H16B2O5P- — CID 159888747

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OP([BH3-])(C)=O)[C@@H]1O
InChIInChI=1S/C7H16B2O5P/c1-12-3-4-6(14-15(2,9)11)5(10)7(8)13-4/h4-7,10H,3H2,1-2,9H3/q-1/t4-,5+,6?,7-,15?/m1/s1
InChIKeyIAVXPDVYOWDZRG-XHZCUKGBSA-N
MW232.80 g/mol
LogP-1.54
Rot. Bonds4

About CID 159888747

CID 159888747 (PubChem CID 159888747) has the molecular formula C7H16B2O5P- and a molecular weight of 232.80 g/mol.

Molecular Properties

Compound NameCID 159888747
PubChem CID159888747
Molecular FormulaC7H16B2O5P-
Molecular Weight232.80 g/mol
Exact Mass233.09
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OP([BH3-])(C)=O)[C@@H]1O
InChIInChI=1S/C7H16B2O5P/c1-12-3-4-6(14-15(2,9)11)5(10)7(8)13-4/h4-7,10H,3H2,1-2,9H3/q-1/t4-,5+,6?,7-,15?/m1/s1
InChIKeyIAVXPDVYOWDZRG-XHZCUKGBSA-N
XLogP-1.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 159888747?
The IUPAC name of CID 159888747 (CID 159888747) is not available.
What is the SMILES notation for CID 159888747?
The canonical SMILES for CID 159888747 is [B][C@@H]1O[C@H](COC)C(OP([BH3-])(C)=O)[C@@H]1O.
What is the InChIKey of CID 159888747?
The InChIKey is IAVXPDVYOWDZRG-XHZCUKGBSA-N. The full InChI is InChI=1S/C7H16B2O5P/c1-12-3-4-6(14-15(2,9)11)5(10)7(8)13-4/h4-7,10H,3H2,1-2,9H3/q-1/t4-,5+,6?,7-,15?/m1/s1.
What are the key properties of CID 159888747?
CID 159888747 has a molecular weight of 232.80 g/mol, XLogP of -1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159888747 is sourced from PubChem (CID 159888747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).