CID 174319424

C6H12BO4P — CID 174319424

IUPAC—
SMILES[B][C@H]1CC[C@@H](COP(C)(=O)O)O1
InChIInChI=1S/C6H12BO4P/c1-12(8,9)10-4-5-2-3-6(7)11-5/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyMPFKQPYBUGJTDB-NTSWFWBYSA-N
MW189.94 g/mol
LogP0.49
Rot. Bonds3

About CID 174319424

CID 174319424 (PubChem CID 174319424) has the molecular formula C6H12BO4P and a molecular weight of 189.94 g/mol.

Molecular Properties

Compound NameCID 174319424
PubChem CID174319424
Molecular FormulaC6H12BO4P
Molecular Weight189.94 g/mol
Exact Mass190.06
IUPAC Name—
SMILES[B][C@H]1CC[C@@H](COP(C)(=O)O)O1
InChIInChI=1S/C6H12BO4P/c1-12(8,9)10-4-5-2-3-6(7)11-5/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyMPFKQPYBUGJTDB-NTSWFWBYSA-N
XLogP0.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.94
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511222
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
CID 162479750
CID 162479750
(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane
CID 58640883
CID 174025294
CID 174025294
CID 58658314
CID 58658314
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
CID 169187680
CID 169187680
CID 162479746
CID 162479746
CID 59974518
CID 59974518
CID 123651139
CID 123651139
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718

Frequently Asked Questions

What is the IUPAC name of CID 174319424?
The IUPAC name of CID 174319424 (CID 174319424) is not available.
What is the SMILES notation for CID 174319424?
The canonical SMILES for CID 174319424 is [B][C@H]1CC[C@@H](COP(C)(=O)O)O1.
What is the InChIKey of CID 174319424?
The InChIKey is MPFKQPYBUGJTDB-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12BO4P/c1-12(8,9)10-4-5-2-3-6(7)11-5/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1.
What are the key properties of CID 174319424?
CID 174319424 has a molecular weight of 189.94 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174319424 is sourced from PubChem (CID 174319424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).