[2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate

C20H30NO5P — CID 10287446

IUPAC[2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate
SMILESCC(N)(CCc1ccc(CCCCCc2ccccc2)o1)COP(=O)(O)O
InChIInChI=1S/C20H30NO5P/c1-20(21,16-25-27(22,23)24)15-14-19-13-12-18(26-19)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13H,3,6-7,10-11,14-16,21H2,1H3,(H2,22,23,24)
InChIKeyYWUWNNHLZMCRMO-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.99
Rot. Bonds12

About [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate

[2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate (PubChem CID 10287446) has the molecular formula C20H30NO5P and a molecular weight of 395.44 g/mol. Its IUPAC name is [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate
PubChem CID10287446
Molecular FormulaC20H30NO5P
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name[2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate
SMILESCC(N)(CCc1ccc(CCCCCc2ccccc2)o1)COP(=O)(O)O
InChIInChI=1S/C20H30NO5P/c1-20(21,16-25-27(22,23)24)15-14-19-13-12-18(26-19)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13H,3,6-7,10-11,14-16,21H2,1H3,(H2,22,23,24)
InChIKeyYWUWNNHLZMCRMO-UHFFFAOYSA-N
XLogP3.99
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate?
The IUPAC name of [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate (CID 10287446) is [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate.
What is the SMILES notation for [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate?
The canonical SMILES for [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate is CC(N)(CCc1ccc(CCCCCc2ccccc2)o1)COP(=O)(O)O.
What is the InChIKey of [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate?
The InChIKey is YWUWNNHLZMCRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NO5P/c1-20(21,16-25-27(22,23)24)15-14-19-13-12-18(26-19)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13H,3,6-7,10-11,14-16,21H2,1H3,(H2,22,23,24).
What are the key properties of [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate?
[2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate has a molecular weight of 395.44 g/mol, XLogP of 3.99, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butyl] dihydrogen phosphate is sourced from PubChem (CID 10287446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).