5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium

C7H19NO5P+ — CID 174888571

IUPAC5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium
SMILESCCC(N)CCCC(O)O.O=[P+](O)O
InChIInChI=1S/C7H17NO2.HO3P/c1-2-6(8)4-3-5-7(9)10;1-4(2)3/h6-7,9-10H,2-5,8H2,1H3;(H-,1,2,3)/p+1
InChIKeyLBLSFVBYNBRMEG-UHFFFAOYSA-O
MW228.20 g/mol
LogP-0.17
Rot. Bonds5

About 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium

5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium (PubChem CID 174888571) has the molecular formula C7H19NO5P+ and a molecular weight of 228.20 g/mol. Its IUPAC name is 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium
PubChem CID174888571
Molecular FormulaC7H19NO5P+
Molecular Weight228.20 g/mol
Exact Mass228.10
IUPAC Name5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium
SMILESCCC(N)CCCC(O)O.O=[P+](O)O
InChIInChI=1S/C7H17NO2.HO3P/c1-2-6(8)4-3-5-7(9)10;1-4(2)3/h6-7,9-10H,2-5,8H2,1H3;(H-,1,2,3)/p+1
InChIKeyLBLSFVBYNBRMEG-UHFFFAOYSA-O
XLogP-0.17
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 91042814
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CID 141295191
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9-amino-3-hydroxyundecanoic acid
CID 175426923
3-(4-aminohexylsulfanyl)butan-2-ol
CID 107772600
acetic acid;decan-3-amine
CID 87798591
acetic acid;henicosan-3-amine
CID 174717408
hexane-1,4-diamine;trihydrate
CID 173409010
tritriactan-3-amine;hydrochloride
CID 173389490
hexane-1,4-diamine;hydrochloride
CID 118144198
tetradecane-3,11-diamine
CID 170279817
tetradecan-3-amine;hydrobromide
CID 173393490

Frequently Asked Questions

What is the IUPAC name of 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium?
The IUPAC name of 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium (CID 174888571) is 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium?
The canonical SMILES for 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium is CCC(N)CCCC(O)O.O=[P+](O)O.
What is the InChIKey of 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium?
The InChIKey is LBLSFVBYNBRMEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17NO2.HO3P/c1-2-6(8)4-3-5-7(9)10;1-4(2)3/h6-7,9-10H,2-5,8H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium?
5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium has a molecular weight of 228.20 g/mol, XLogP of -0.17, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 174888571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).