CID 88941325

C11H20BO8P — CID 88941325

IUPAC—
SMILES[B][C@H]1CC(OP(=O)(O)OC2CCO[C@@H]2CO)[C@@H](COC)O1
InChIInChI=1S/C11H20BO8P/c1-16-6-10-8(4-11(12)18-10)20-21(14,15)19-7-2-3-17-9(7)5-13/h7-11,13H,2-6H2,1H3,(H,14,15)/t7?,8?,9-,10-,11-/m1/s1
InChIKeyOPKYQSGSMTUCIO-CUZJRPPFSA-N
MW322.06 g/mol
LogP-0.43
Rot. Bonds7

About CID 88941325

CID 88941325 (PubChem CID 88941325) has the molecular formula C11H20BO8P and a molecular weight of 322.06 g/mol.

Molecular Properties

Compound NameCID 88941325
PubChem CID88941325
Molecular FormulaC11H20BO8P
Molecular Weight322.06 g/mol
Exact Mass322.10
IUPAC Name—
SMILES[B][C@H]1CC(OP(=O)(O)OC2CCO[C@@H]2CO)[C@@H](COC)O1
InChIInChI=1S/C11H20BO8P/c1-16-6-10-8(4-11(12)18-10)20-21(14,15)19-7-2-3-17-9(7)5-13/h7-11,13H,2-6H2,1H3,(H,14,15)/t7?,8?,9-,10-,11-/m1/s1
InChIKeyOPKYQSGSMTUCIO-CUZJRPPFSA-N
XLogP-0.43
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.06
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 90304851
CID 90304851
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
CID 166590049
CID 166590049
CID 153446261
CID 153446261
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 130330647
CID 147040657
CID 147040657
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
CID 158919548
CID 158919548
CID 91242813
CID 91242813
CID 174019264
CID 174019264
hentetracontyl [(2R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 155649833
[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 140824432

Frequently Asked Questions

What is the IUPAC name of CID 88941325?
The IUPAC name of CID 88941325 (CID 88941325) is not available.
What is the SMILES notation for CID 88941325?
The canonical SMILES for CID 88941325 is [B][C@H]1CC(OP(=O)(O)OC2CCO[C@@H]2CO)[C@@H](COC)O1.
What is the InChIKey of CID 88941325?
The InChIKey is OPKYQSGSMTUCIO-CUZJRPPFSA-N. The full InChI is InChI=1S/C11H20BO8P/c1-16-6-10-8(4-11(12)18-10)20-21(14,15)19-7-2-3-17-9(7)5-13/h7-11,13H,2-6H2,1H3,(H,14,15)/t7?,8?,9-,10-,11-/m1/s1.
What are the key properties of CID 88941325?
CID 88941325 has a molecular weight of 322.06 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88941325 is sourced from PubChem (CID 88941325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).