CID 147341265

C6H14BO11P3 — CID 147341265

IUPAC—
SMILES[B]C1CC(C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
InChIInChI=1S/C6H14BO11P3/c1-4-2-6(7)16-5(4)3-15-20(11,12)18-21(13,14)17-19(8,9)10/h4-6H,2-3H2,1H3,(H,11,12)(H,13,14)(H2,8,9,10)
InChIKeyIIMPCJULCXEZQG-UHFFFAOYSA-N
MW365.90 g/mol
LogP0.25
Rot. Bonds7

About CID 147341265

CID 147341265 (PubChem CID 147341265) has the molecular formula C6H14BO11P3 and a molecular weight of 365.90 g/mol.

Molecular Properties

Compound NameCID 147341265
PubChem CID147341265
Molecular FormulaC6H14BO11P3
Molecular Weight365.90 g/mol
Exact Mass365.98
IUPAC Name—
SMILES[B]C1CC(C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
InChIInChI=1S/C6H14BO11P3/c1-4-2-6(7)16-5(4)3-15-20(11,12)18-21(13,14)17-19(8,9)10/h4-6H,2-3H2,1H3,(H,11,12)(H,13,14)(H2,8,9,10)
InChIKeyIIMPCJULCXEZQG-UHFFFAOYSA-N
XLogP0.25
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 50.25
H-Bond Donors ≤ 54
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 147499014
CID 147499014
CID 158606608
CID 158606608
[[(2R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 157081438
CID 167657546
CID 167657546
CID 59084172
CID 59084172
CID 166057526
CID 166057526
CID 158367851
CID 158367851
CID 161379011
CID 161379011
[[5-(2-amino-6-chloropurin-9-yl)-3-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123293097
CID 90136214
CID 90136214
[[(2R,5R)-5-(3-amino-5-methyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87534386
[hydroxy-[[(2R,3R,5S)-3-methoxy-5-(3-methylbutyl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 164978112

Frequently Asked Questions

What is the IUPAC name of CID 147341265?
The IUPAC name of CID 147341265 (CID 147341265) is not available.
What is the SMILES notation for CID 147341265?
The canonical SMILES for CID 147341265 is [B]C1CC(C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.
What is the InChIKey of CID 147341265?
The InChIKey is IIMPCJULCXEZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BO11P3/c1-4-2-6(7)16-5(4)3-15-20(11,12)18-21(13,14)17-19(8,9)10/h4-6H,2-3H2,1H3,(H,11,12)(H,13,14)(H2,8,9,10).
What are the key properties of CID 147341265?
CID 147341265 has a molecular weight of 365.90 g/mol, XLogP of 0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147341265 is sourced from PubChem (CID 147341265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).