CID 174025294

C6H13BNO7P — CID 174025294

IUPAC—
SMILES[B]C1OC(COP(C)(=O)O)C(O)N(O)C1O
InChIInChI=1S/C6H13BNO7P/c1-16(12,13)14-2-3-5(9)8(11)6(10)4(7)15-3/h3-6,9-11H,2H2,1H3,(H,12,13)
InChIKeyLUNFAACYORQXSZ-UHFFFAOYSA-N
MW252.96 g/mol
LogP-1.96
Rot. Bonds3

About CID 174025294

CID 174025294 (PubChem CID 174025294) has the molecular formula C6H13BNO7P and a molecular weight of 252.96 g/mol.

Molecular Properties

Compound NameCID 174025294
PubChem CID174025294
Molecular FormulaC6H13BNO7P
Molecular Weight252.96 g/mol
Exact Mass253.05
IUPAC Name—
SMILES[B]C1OC(COP(C)(=O)O)C(O)N(O)C1O
InChIInChI=1S/C6H13BNO7P/c1-16(12,13)14-2-3-5(9)8(11)6(10)4(7)15-3/h3-6,9-11H,2H2,1H3,(H,12,13)
InChIKeyLUNFAACYORQXSZ-UHFFFAOYSA-N
XLogP-1.96
TPSA119.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.96
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 174025294 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59974518
CID 59974518
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
CID 163774685
CID 163774685
[(2R,3S,4R,5R,6S)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methoxy-methylphosphinic acid
CID 59119173
CID 174319424
CID 174319424
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
CID 159251594
CID 159251594
CID 22091074
CID 22091074
CID 135028849
CID 135028849
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 21115981
CID 20778751
CID 20778751
CID 58581223
CID 58581223

Frequently Asked Questions

What is the IUPAC name of CID 174025294?
The IUPAC name of CID 174025294 (CID 174025294) is not available.
What is the SMILES notation for CID 174025294?
The canonical SMILES for CID 174025294 is [B]C1OC(COP(C)(=O)O)C(O)N(O)C1O.
What is the InChIKey of CID 174025294?
The InChIKey is LUNFAACYORQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BNO7P/c1-16(12,13)14-2-3-5(9)8(11)6(10)4(7)15-3/h3-6,9-11H,2H2,1H3,(H,12,13).
What are the key properties of CID 174025294?
CID 174025294 has a molecular weight of 252.96 g/mol, XLogP of -1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174025294 is sourced from PubChem (CID 174025294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).