CID 91107619

C6H11BO6P+ — CID 91107619

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)[C@@H]2O[P+](O)(O)OC12
InChIInChI=1S/C6H11BO6P/c1-10-2-3-4-5(6(7)11-3)13-14(8,9)12-4/h3-6,8-9H,2H2,1H3/q+1/t3-,4+,5?,6-/m1/s1
InChIKeyHYYRBPDDMPOGNZ-WGDKFINWSA-N
MW220.93 g/mol
LogP-1.03
Rot. Bonds2

About CID 91107619

CID 91107619 (PubChem CID 91107619) has the molecular formula C6H11BO6P+ and a molecular weight of 220.93 g/mol.

Molecular Properties

Compound NameCID 91107619
PubChem CID91107619
Molecular FormulaC6H11BO6P+
Molecular Weight220.93 g/mol
Exact Mass221.04
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)[C@@H]2O[P+](O)(O)OC12
InChIInChI=1S/C6H11BO6P/c1-10-2-3-4-5(6(7)11-3)13-14(8,9)12-4/h3-6,8-9H,2H2,1H3/q+1/t3-,4+,5?,6-/m1/s1
InChIKeyHYYRBPDDMPOGNZ-WGDKFINWSA-N
XLogP-1.03
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.93
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of CID 91107619?
The IUPAC name of CID 91107619 (CID 91107619) is not available.
What is the SMILES notation for CID 91107619?
The canonical SMILES for CID 91107619 is [B][C@@H]1O[C@H](COC)[C@@H]2O[P+](O)(O)OC12.
What is the InChIKey of CID 91107619?
The InChIKey is HYYRBPDDMPOGNZ-WGDKFINWSA-N. The full InChI is InChI=1S/C6H11BO6P/c1-10-2-3-4-5(6(7)11-3)13-14(8,9)12-4/h3-6,8-9H,2H2,1H3/q+1/t3-,4+,5?,6-/m1/s1.
What are the key properties of CID 91107619?
CID 91107619 has a molecular weight of 220.93 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91107619 is sourced from PubChem (CID 91107619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).