5-aminodecan-5-ol diphosphate

C10H23NO9P2-6 — CID 23158796

IUPAC5-aminodecan-5-ol diphosphate
SMILESCCCCCC(N)(O)CCCC.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-]
InChIInChI=1S/C10H23NO.2H3O4P/c1-3-5-7-9-10(11,12)8-6-4-2;2*1-5(2,3)4/h12H,3-9,11H2,1-2H3;2*(H3,1,2,3,4)/p-6
InChIKeyAEKVSBJWNXLSFU-UHFFFAOYSA-H
MW363.24 g/mol
LogP-3.24
Rot. Bonds7

About 5-aminodecan-5-ol diphosphate

5-aminodecan-5-ol diphosphate (PubChem CID 23158796) has the molecular formula C10H23NO9P2-6 and a molecular weight of 363.24 g/mol. Its IUPAC name is 5-aminodecan-5-ol diphosphate.

Molecular Properties

Compound Name5-aminodecan-5-ol diphosphate
PubChem CID23158796
Molecular FormulaC10H23NO9P2-6
Molecular Weight363.24 g/mol
Exact Mass363.09
IUPAC Name5-aminodecan-5-ol diphosphate
SMILESCCCCCC(N)(O)CCCC.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-]
InChIInChI=1S/C10H23NO.2H3O4P/c1-3-5-7-9-10(11,12)8-6-4-2;2*1-5(2,3)4/h12H,3-9,11H2,1-2H3;2*(H3,1,2,3,4)/p-6
InChIKeyAEKVSBJWNXLSFU-UHFFFAOYSA-H
XLogP-3.24
TPSA218.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 5-3.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-aminoheptane-1,3-diol
CID 154296556
carbanylium;1,1-diphosphonatododecan-1-ol;bis(yttrium)
CID 158889526
6,7-dipentyldodecane-6,7-diamine
CID 23346628
5-butylnonan-5-amine;phosphoric acid
CID 88962478
1-aminoundecane-1,1-diol
CID 21111671
1,1-diaminooctan-1-ol
CID 20507531
9-amino-10-hexyl-10-octyloctadecan-9-ol
CID 141310311
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
tricalcium;octadecan-1-amine;diphosphate
CID 174663264
(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
1,1-difluorohexylphosphonic acid
CID 87256620

Frequently Asked Questions

What is the IUPAC name of 5-aminodecan-5-ol diphosphate?
The IUPAC name of 5-aminodecan-5-ol diphosphate (CID 23158796) is 5-aminodecan-5-ol diphosphate.
What is the SMILES notation for 5-aminodecan-5-ol diphosphate?
The canonical SMILES for 5-aminodecan-5-ol diphosphate is CCCCCC(N)(O)CCCC.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].
What is the InChIKey of 5-aminodecan-5-ol diphosphate?
The InChIKey is AEKVSBJWNXLSFU-UHFFFAOYSA-H. The full InChI is InChI=1S/C10H23NO.2H3O4P/c1-3-5-7-9-10(11,12)8-6-4-2;2*1-5(2,3)4/h12H,3-9,11H2,1-2H3;2*(H3,1,2,3,4)/p-6.
What are the key properties of 5-aminodecan-5-ol diphosphate?
5-aminodecan-5-ol diphosphate has a molecular weight of 363.24 g/mol, XLogP of -3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminodecan-5-ol diphosphate is sourced from PubChem (CID 23158796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).