CID 90304845

C7H13BFO6P — CID 90304845

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)[C@@H](OP(=O)(O)OC)C1F
InChIInChI=1S/C7H13BFO6P/c1-12-3-4-6(5(9)7(8)14-4)15-16(10,11)13-2/h4-7H,3H2,1-2H3,(H,10,11)/t4-,5?,6-,7-/m1/s1
InChIKeyGJODWFXNWGCHQJ-GFEXSSHISA-N
MW253.96 g/mol
LogP-0.00
Rot. Bonds5

About CID 90304845

CID 90304845 (PubChem CID 90304845) has the molecular formula C7H13BFO6P and a molecular weight of 253.96 g/mol.

Molecular Properties

Compound NameCID 90304845
PubChem CID90304845
Molecular FormulaC7H13BFO6P
Molecular Weight253.96 g/mol
Exact Mass254.05
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)[C@@H](OP(=O)(O)OC)C1F
InChIInChI=1S/C7H13BFO6P/c1-12-3-4-6(5(9)7(8)14-4)15-16(10,11)13-2/h4-7H,3H2,1-2H3,(H,10,11)/t4-,5?,6-,7-/m1/s1
InChIKeyGJODWFXNWGCHQJ-GFEXSSHISA-N
XLogP-0.00
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.96
LogP ≤ 5-0.00
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 90304845?
The IUPAC name of CID 90304845 (CID 90304845) is not available.
What is the SMILES notation for CID 90304845?
The canonical SMILES for CID 90304845 is [B][C@@H]1O[C@H](COC)[C@@H](OP(=O)(O)OC)C1F.
What is the InChIKey of CID 90304845?
The InChIKey is GJODWFXNWGCHQJ-GFEXSSHISA-N. The full InChI is InChI=1S/C7H13BFO6P/c1-12-3-4-6(5(9)7(8)14-4)15-16(10,11)13-2/h4-7H,3H2,1-2H3,(H,10,11)/t4-,5?,6-,7-/m1/s1.
What are the key properties of CID 90304845?
CID 90304845 has a molecular weight of 253.96 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90304845 is sourced from PubChem (CID 90304845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).