CID 59905646

C9H16BO6P — CID 59905646

IUPAC—
SMILES[B][C@H]1CC2OP(=O)(O)OC[C@]2(COC(C)C)O1
InChIInChI=1S/C9H16BO6P/c1-6(2)13-4-9-5-14-17(11,12)16-7(9)3-8(10)15-9/h6-8H,3-5H2,1-2H3,(H,11,12)/t7?,8-,9+/m1/s1
InChIKeyFPSNARSCEZLXGA-ASODMVGOSA-N
MW262.01 g/mol
LogP0.58
Rot. Bonds3

About CID 59905646

CID 59905646 (PubChem CID 59905646) has the molecular formula C9H16BO6P and a molecular weight of 262.01 g/mol.

Molecular Properties

Compound NameCID 59905646
PubChem CID59905646
Molecular FormulaC9H16BO6P
Molecular Weight262.01 g/mol
Exact Mass262.08
IUPAC Name—
SMILES[B][C@H]1CC2OP(=O)(O)OC[C@]2(COC(C)C)O1
InChIInChI=1S/C9H16BO6P/c1-6(2)13-4-9-5-14-17(11,12)16-7(9)3-8(10)15-9/h6-8H,3-5H2,1-2H3,(H,11,12)/t7?,8-,9+/m1/s1
InChIKeyFPSNARSCEZLXGA-ASODMVGOSA-N
XLogP0.58
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.01
LogP ≤ 50.58
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 59905646?
The IUPAC name of CID 59905646 (CID 59905646) is not available.
What is the SMILES notation for CID 59905646?
The canonical SMILES for CID 59905646 is [B][C@H]1CC2OP(=O)(O)OC[C@]2(COC(C)C)O1.
What is the InChIKey of CID 59905646?
The InChIKey is FPSNARSCEZLXGA-ASODMVGOSA-N. The full InChI is InChI=1S/C9H16BO6P/c1-6(2)13-4-9-5-14-17(11,12)16-7(9)3-8(10)15-9/h6-8H,3-5H2,1-2H3,(H,11,12)/t7?,8-,9+/m1/s1.
What are the key properties of CID 59905646?
CID 59905646 has a molecular weight of 262.01 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59905646 is sourced from PubChem (CID 59905646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).