38-aminooctatriacontyl dihydrogen phosphate

C38H80NO4P — CID 87686318

IUPAC38-aminooctatriacontyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C38H80NO4P/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-44(40,41)42/h1-39H2,(H2,40,41,42)
InChIKeyHCVWRCGEPZTUKE-UHFFFAOYSA-N
MW646.03 g/mol
LogP13.10
Rot. Bonds39

About 38-aminooctatriacontyl dihydrogen phosphate

38-aminooctatriacontyl dihydrogen phosphate (PubChem CID 87686318) has the molecular formula C38H80NO4P and a molecular weight of 646.03 g/mol. Its IUPAC name is 38-aminooctatriacontyl dihydrogen phosphate.

Molecular Properties

Compound Name38-aminooctatriacontyl dihydrogen phosphate
PubChem CID87686318
Molecular FormulaC38H80NO4P
Molecular Weight646.03 g/mol
Exact Mass645.58
IUPAC Name38-aminooctatriacontyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C38H80NO4P/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-44(40,41)42/h1-39H2,(H2,40,41,42)
InChIKeyHCVWRCGEPZTUKE-UHFFFAOYSA-N
XLogP13.10
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.03
LogP ≤ 513.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 38-aminooctatriacontyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
25-aminopentacosyl dihydrogen phosphate
CID 87681280
6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
CID 160794380
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
6-aminohexyl hexadecyl hydrogen phosphate
CID 71341995
31-iodohentriacontyl dihydrogen phosphate
CID 87681796
25-iodopentacosyl dihydrogen phosphate
CID 87683330

Frequently Asked Questions

What is the IUPAC name of 38-aminooctatriacontyl dihydrogen phosphate?
The IUPAC name of 38-aminooctatriacontyl dihydrogen phosphate (CID 87686318) is 38-aminooctatriacontyl dihydrogen phosphate.
What is the SMILES notation for 38-aminooctatriacontyl dihydrogen phosphate?
The canonical SMILES for 38-aminooctatriacontyl dihydrogen phosphate is NCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 38-aminooctatriacontyl dihydrogen phosphate?
The InChIKey is HCVWRCGEPZTUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80NO4P/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-44(40,41)42/h1-39H2,(H2,40,41,42).
What are the key properties of 38-aminooctatriacontyl dihydrogen phosphate?
38-aminooctatriacontyl dihydrogen phosphate has a molecular weight of 646.03 g/mol, XLogP of 13.10, 39 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 38-aminooctatriacontyl dihydrogen phosphate is sourced from PubChem (CID 87686318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).