CID 158755697

C7H14B2O6P — CID 158755697

IUPAC—
SMILES[B][B][C@@H]1O[C@H](COP(=O)(O)O)[C@H](OC)C1C
InChIInChI=1S/C7H14B2O6P/c1-4-6(13-2)5(15-7(4)9-8)3-14-16(10,11)12/h4-7H,3H2,1-2H3,(H2,10,11,12)/t4?,5-,6-,7-/m1/s1
InChIKeyYWLSLUHUCOTMEZ-UVSCYPECSA-N
MW246.78 g/mol
LogP-0.74
Rot. Bonds5

About CID 158755697

CID 158755697 (PubChem CID 158755697) has the molecular formula C7H14B2O6P and a molecular weight of 246.78 g/mol.

Molecular Properties

Compound NameCID 158755697
PubChem CID158755697
Molecular FormulaC7H14B2O6P
Molecular Weight246.78 g/mol
Exact Mass247.07
IUPAC Name—
SMILES[B][B][C@@H]1O[C@H](COP(=O)(O)O)[C@H](OC)C1C
InChIInChI=1S/C7H14B2O6P/c1-4-6(13-2)5(15-7(4)9-8)3-14-16(10,11)12/h4-7H,3H2,1-2H3,(H2,10,11,12)/t4?,5-,6-,7-/m1/s1
InChIKeyYWLSLUHUCOTMEZ-UVSCYPECSA-N
XLogP-0.74
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159489647
CID 159489647
CID 88945224
CID 88945224
CID 58193016
CID 58193016
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol
CID 59408106
[5-(5-hydroxy-4-oxo-2-sulfanylidenepyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 25029380
CID 164706434
CID 164706434
CID 163774685
CID 163774685
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
CID 140635283
CID 159437246
CID 159437246

Frequently Asked Questions

What is the IUPAC name of CID 158755697?
The IUPAC name of CID 158755697 (CID 158755697) is not available.
What is the SMILES notation for CID 158755697?
The canonical SMILES for CID 158755697 is [B][B][C@@H]1O[C@H](COP(=O)(O)O)[C@H](OC)C1C.
What is the InChIKey of CID 158755697?
The InChIKey is YWLSLUHUCOTMEZ-UVSCYPECSA-N. The full InChI is InChI=1S/C7H14B2O6P/c1-4-6(13-2)5(15-7(4)9-8)3-14-16(10,11)12/h4-7H,3H2,1-2H3,(H2,10,11,12)/t4?,5-,6-,7-/m1/s1.
What are the key properties of CID 158755697?
CID 158755697 has a molecular weight of 246.78 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158755697 is sourced from PubChem (CID 158755697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).