6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate

C9H26N2O8P2 — CID 160794380

IUPAC6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
SMILESNCCCCCCOP(=O)(O)O.NCCCOP(=O)(O)O
InChIInChI=1S/C6H16NO4P.C3H10NO4P/c7-5-3-1-2-4-6-11-12(8,9)10;4-2-1-3-8-9(5,6)7/h1-7H2,(H2,8,9,10);1-4H2,(H2,5,6,7)
InChIKeySCFZPNMWAYHION-UHFFFAOYSA-N
MW352.26 g/mol
LogP0.06
Rot. Bonds11

About 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate

6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate (PubChem CID 160794380) has the molecular formula C9H26N2O8P2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate.

Molecular Properties

Compound Name6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
PubChem CID160794380
Molecular FormulaC9H26N2O8P2
Molecular Weight352.26 g/mol
Exact Mass352.12
IUPAC Name6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
SMILESNCCCCCCOP(=O)(O)O.NCCCOP(=O)(O)O
InChIInChI=1S/C6H16NO4P.C3H10NO4P/c7-5-3-1-2-4-6-11-12(8,9)10;4-2-1-3-8-9(5,6)7/h1-7H2,(H2,8,9,10);1-4H2,(H2,5,6,7)
InChIKeySCFZPNMWAYHION-UHFFFAOYSA-N
XLogP0.06
TPSA185.56 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 50.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Aminohexyl dihydrogen phosphate
CID 533876
8-Aminooctyl dihydrogen phosphate
CID 15787852
9-Aminononyl dihydrogen phosphate
CID 15788283
10-Aminodecyl dihydrogen phosphate
CID 15788284
12-Aminododecyl dihydrogen phosphate
CID 18506542
Tris(6-aminohexyl) phosphate
CID 20038978
6-Aminohexyl methyl hydrogen phosphate
CID 21018172
[6-Amino-1-[[3-amino-1-hydroxy-1-[hydroxy(methoxy)phosphoryl]propyl]-ethoxyphosphoryl]oxy-1-phosphonohexyl]phosphonic acid
CID 53864722
6-Aminohexyl phosphono hydrogen phosphate
CID 54361536
6-Aminohexyl ethyl phosphate
CID 59343088
6-Aminohexyl ethyl hydrogen phosphate
CID 59343089
6-[4-Aminobutoxy(methyl)phosphoryl]oxyhexyl dihydrogen phosphate
CID 59537224

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate?
The IUPAC name of 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate (CID 160794380) is 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate.
What is the SMILES notation for 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate?
The canonical SMILES for 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate is NCCCCCCOP(=O)(O)O.NCCCOP(=O)(O)O.
What is the InChIKey of 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate?
The InChIKey is SCFZPNMWAYHION-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4P.C3H10NO4P/c7-5-3-1-2-4-6-11-12(8,9)10;4-2-1-3-8-9(5,6)7/h1-7H2,(H2,8,9,10);1-4H2,(H2,5,6,7).
What are the key properties of 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate?
6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate has a molecular weight of 352.26 g/mol, XLogP of 0.06, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate is sourced from PubChem (CID 160794380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).