CID 159251594

C7H15BO7P2Se — CID 159251594

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(C)(=[Se])OP(=O)(O)O)[C@@H](O)[C@H]1C
InChIInChI=1S/C7H15BO7P2Se/c1-4-6(9)5(14-7(4)8)3-13-16(2,18)15-17(10,11)12/h4-7,9H,3H2,1-2H3,(H2,10,11,12)/t4-,5-,6+,7-,16?/m1/s1
InChIKeyQUMCKMUTXZTKIN-GTCBDFMGSA-N
MW362.91 g/mol
LogP-0.44
Rot. Bonds5

About CID 159251594

CID 159251594 (PubChem CID 159251594) has the molecular formula C7H15BO7P2Se and a molecular weight of 362.91 g/mol.

Molecular Properties

Compound NameCID 159251594
PubChem CID159251594
Molecular FormulaC7H15BO7P2Se
Molecular Weight362.91 g/mol
Exact Mass363.96
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(C)(=[Se])OP(=O)(O)O)[C@@H](O)[C@H]1C
InChIInChI=1S/C7H15BO7P2Se/c1-4-6(9)5(14-7(4)8)3-13-16(2,18)15-17(10,11)12/h4-7,9H,3H2,1-2H3,(H2,10,11,12)/t4-,5-,6+,7-,16?/m1/s1
InChIKeyQUMCKMUTXZTKIN-GTCBDFMGSA-N
XLogP-0.44
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
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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Related Compounds

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[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
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[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
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CID 20778751

Frequently Asked Questions

What is the IUPAC name of CID 159251594?
The IUPAC name of CID 159251594 (CID 159251594) is not available.
What is the SMILES notation for CID 159251594?
The canonical SMILES for CID 159251594 is [B][C@@H]1O[C@H](COP(C)(=[Se])OP(=O)(O)O)[C@@H](O)[C@H]1C.
What is the InChIKey of CID 159251594?
The InChIKey is QUMCKMUTXZTKIN-GTCBDFMGSA-N. The full InChI is InChI=1S/C7H15BO7P2Se/c1-4-6(9)5(14-7(4)8)3-13-16(2,18)15-17(10,11)12/h4-7,9H,3H2,1-2H3,(H2,10,11,12)/t4-,5-,6+,7-,16?/m1/s1.
What are the key properties of CID 159251594?
CID 159251594 has a molecular weight of 362.91 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159251594 is sourced from PubChem (CID 159251594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).