CID 158444799

C30H61N4O8P3W3 — CID 158444799

IUPAC—
SMILESCCOCC1CN(P(C)(=[W])OCC2CN(P(C)(=[W])OCC3CN(P(C)(=[W])OCC4CN(C)CC(C)O4)CC(C)O3)CC(C)O2)CC(C)O1
InChIInChI=1S/C30H61N4O8P3.3W/c1-10-35-19-28-16-32(12-24(3)40-28)43(7)37-21-30-18-34(14-26(5)42-30)45(9)38-22-29-17-33(13-25(4)41-29)44(8)36-20-27-15-31(6)11-23(2)39-27;;;/h23-30H,10-22H2,1-9H3;;;
InChIKeyRHVSDVLEEFERQM-UHFFFAOYSA-N
MW1250.28 g/mol
LogP3.88
Rot. Bonds15

About CID 158444799

CID 158444799 (PubChem CID 158444799) has the molecular formula C30H61N4O8P3W3 and a molecular weight of 1250.28 g/mol.

Molecular Properties

Compound NameCID 158444799
PubChem CID158444799
Molecular FormulaC30H61N4O8P3W3
Molecular Weight1250.28 g/mol
Exact Mass1250.22
IUPAC Name—
SMILESCCOCC1CN(P(C)(=[W])OCC2CN(P(C)(=[W])OCC3CN(P(C)(=[W])OCC4CN(C)CC(C)O4)CC(C)O3)CC(C)O2)CC(C)O1
InChIInChI=1S/C30H61N4O8P3.3W/c1-10-35-19-28-16-32(12-24(3)40-28)43(7)37-21-30-18-34(14-26(5)42-30)45(9)38-22-29-17-33(13-25(4)41-29)44(8)36-20-27-15-31(6)11-23(2)39-27;;;/h23-30H,10-22H2,1-9H3;;;
InChIKeyRHVSDVLEEFERQM-UHFFFAOYSA-N
XLogP3.88
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001250.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158444799?
The IUPAC name of CID 158444799 (CID 158444799) is not available.
What is the SMILES notation for CID 158444799?
The canonical SMILES for CID 158444799 is CCOCC1CN(P(C)(=[W])OCC2CN(P(C)(=[W])OCC3CN(P(C)(=[W])OCC4CN(C)CC(C)O4)CC(C)O3)CC(C)O2)CC(C)O1.
What is the InChIKey of CID 158444799?
The InChIKey is RHVSDVLEEFERQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N4O8P3.3W/c1-10-35-19-28-16-32(12-24(3)40-28)43(7)37-21-30-18-34(14-26(5)42-30)45(9)38-22-29-17-33(13-25(4)41-29)44(8)36-20-27-15-31(6)11-23(2)39-27;;;/h23-30H,10-22H2,1-9H3;;;.
What are the key properties of CID 158444799?
CID 158444799 has a molecular weight of 1250.28 g/mol, XLogP of 3.88, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158444799 is sourced from PubChem (CID 158444799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).