CID 172623358

C10H20BO6P — CID 172623358

IUPAC—
SMILESOO.[B]C1O[C@@](/C=C/P(O)O)(CC)CC[C@H]1OC
InChIInChI=1S/C10H18BO4P.H2O2/c1-3-10(6-7-16(12)13)5-4-8(14-2)9(11)15-10;1-2/h6-9,12-13H,3-5H2,1-2H3;1-2H/b7-6+;/t8-,9?,10+;/m1./s1
InChIKeyZOGIDCAVBJCNJB-IFCBIBETSA-N
MW278.05 g/mol
LogP1.28
Rot. Bonds4

About CID 172623358

CID 172623358 (PubChem CID 172623358) has the molecular formula C10H20BO6P and a molecular weight of 278.05 g/mol.

Molecular Properties

Compound NameCID 172623358
PubChem CID172623358
Molecular FormulaC10H20BO6P
Molecular Weight278.05 g/mol
Exact Mass278.11
IUPAC Name—
SMILESOO.[B]C1O[C@@](/C=C/P(O)O)(CC)CC[C@H]1OC
InChIInChI=1S/C10H18BO4P.H2O2/c1-3-10(6-7-16(12)13)5-4-8(14-2)9(11)15-10;1-2/h6-9,12-13H,3-5H2,1-2H3;1-2H/b7-6+;/t8-,9?,10+;/m1./s1
InChIKeyZOGIDCAVBJCNJB-IFCBIBETSA-N
XLogP1.28
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172623358?
The IUPAC name of CID 172623358 (CID 172623358) is not available.
What is the SMILES notation for CID 172623358?
The canonical SMILES for CID 172623358 is OO.[B]C1O[C@@](/C=C/P(O)O)(CC)CC[C@H]1OC.
What is the InChIKey of CID 172623358?
The InChIKey is ZOGIDCAVBJCNJB-IFCBIBETSA-N. The full InChI is InChI=1S/C10H18BO4P.H2O2/c1-3-10(6-7-16(12)13)5-4-8(14-2)9(11)15-10;1-2/h6-9,12-13H,3-5H2,1-2H3;1-2H/b7-6+;/t8-,9?,10+;/m1./s1.
What are the key properties of CID 172623358?
CID 172623358 has a molecular weight of 278.05 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172623358 is sourced from PubChem (CID 172623358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).