CID 89257277

C9H17BFO6P — CID 89257277

IUPAC—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)OC)[C@H]1F
InChIInChI=1S/C9H17BFO6P/c1-5(2)15-4-6-8(7(11)9(10)16-6)17-18(12,13)14-3/h5-9H,4H2,1-3H3,(H,12,13)/t6-,7-,8-,9-/m1/s1
InChIKeyNIJZCLLZCHODLU-FNCVBFRFSA-N
MW282.01 g/mol
LogP0.77
Rot. Bonds6

About CID 89257277

CID 89257277 (PubChem CID 89257277) has the molecular formula C9H17BFO6P and a molecular weight of 282.01 g/mol.

Molecular Properties

Compound NameCID 89257277
PubChem CID89257277
Molecular FormulaC9H17BFO6P
Molecular Weight282.01 g/mol
Exact Mass282.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)OC)[C@H]1F
InChIInChI=1S/C9H17BFO6P/c1-5(2)15-4-6-8(7(11)9(10)16-6)17-18(12,13)14-3/h5-9H,4H2,1-3H3,(H,12,13)/t6-,7-,8-,9-/m1/s1
InChIKeyNIJZCLLZCHODLU-FNCVBFRFSA-N
XLogP0.77
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 50.77
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 89257277?
The IUPAC name of CID 89257277 (CID 89257277) is not available.
What is the SMILES notation for CID 89257277?
The canonical SMILES for CID 89257277 is [B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)OC)[C@H]1F.
What is the InChIKey of CID 89257277?
The InChIKey is NIJZCLLZCHODLU-FNCVBFRFSA-N. The full InChI is InChI=1S/C9H17BFO6P/c1-5(2)15-4-6-8(7(11)9(10)16-6)17-18(12,13)14-3/h5-9H,4H2,1-3H3,(H,12,13)/t6-,7-,8-,9-/m1/s1.
What are the key properties of CID 89257277?
CID 89257277 has a molecular weight of 282.01 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89257277 is sourced from PubChem (CID 89257277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).