trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium

C9H22NO7P2+ — CID 91025102

IUPACtrihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium
SMILESCCCCCN(C)C(=O)CC(P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C9H21NO7P2/c1-3-4-5-6-10(2)8(11)7-9(18(12,13)14)19(15,16)17/h9,12-14H,3-7H2,1-2H3,(H-,15,16,17)/p+1
InChIKeyLORNIIJMALSASL-UHFFFAOYSA-O
MW318.22 g/mol
LogP0.27
Rot. Bonds8

About trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium

trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium (PubChem CID 91025102) has the molecular formula C9H22NO7P2+ and a molecular weight of 318.22 g/mol. Its IUPAC name is trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium
PubChem CID91025102
Molecular FormulaC9H22NO7P2+
Molecular Weight318.22 g/mol
Exact Mass318.09
IUPAC Nametrihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium
SMILESCCCCCN(C)C(=O)CC(P(=O)(O)O)[P+](O)(O)O
InChIInChI=1S/C9H21NO7P2/c1-3-4-5-6-10(2)8(11)7-9(18(12,13)14)19(15,16)17/h9,12-14H,3-7H2,1-2H3,(H-,15,16,17)/p+1
InChIKeyLORNIIJMALSASL-UHFFFAOYSA-O
XLogP0.27
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 50.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247
4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoic acid
CID 139889658
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium?
The IUPAC name of trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium (CID 91025102) is trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium.
What is the SMILES notation for trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium?
The canonical SMILES for trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium is CCCCCN(C)C(=O)CC(P(=O)(O)O)[P+](O)(O)O.
What is the InChIKey of trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium?
The InChIKey is LORNIIJMALSASL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21NO7P2/c1-3-4-5-6-10(2)8(11)7-9(18(12,13)14)19(15,16)17/h9,12-14H,3-7H2,1-2H3,(H-,15,16,17)/p+1.
What are the key properties of trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium?
trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium has a molecular weight of 318.22 g/mol, XLogP of 0.27, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[3-[methyl(pentyl)amino]-3-oxo-1-phosphonopropyl]phosphanium is sourced from PubChem (CID 91025102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).