(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium

C5H14NO7P2+ — CID 57287731

IUPAC(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium
SMILESNC(CCCC(=O)[P+](O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H13NO7P2/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13/h4,11-13H,1-3,6H2,(H-,8,9,10)/p+1
InChIKeyZHQGIALTRNBOSY-UHFFFAOYSA-O
MW262.11 g/mol
LogP-1.11
Rot. Bonds6

About (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium

(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium (PubChem CID 57287731) has the molecular formula C5H14NO7P2+ and a molecular weight of 262.11 g/mol. Its IUPAC name is (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium.

Molecular Properties

Compound Name(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium
PubChem CID57287731
Molecular FormulaC5H14NO7P2+
Molecular Weight262.11 g/mol
Exact Mass262.02
IUPAC Name(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium
SMILESNC(CCCC(=O)[P+](O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H13NO7P2/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13/h4,11-13H,1-3,6H2,(H-,8,9,10)/p+1
InChIKeyZHQGIALTRNBOSY-UHFFFAOYSA-O
XLogP-1.11
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.11
LogP ≤ 5-1.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid
CID 87630987
[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
CID 71563402
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
CID 174557406
(3-amino-3-hydroxypropyl)phosphonic acid
CID 57001099
[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
CID 148549360
(3-carboxy-3-phosphonopropanoyl)-trihydroxyphosphanium
CID 57318590
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
(4-amino-4-hydroxy-1-phosphonobutyl)phosphonic acid
CID 57297515
(3-hydroxy-4-oxobutyl)phosphonic acid
CID 3016813
(5R)-5-amino-5-phosphanylpentanoic acid
CID 174654191

Frequently Asked Questions

What is the IUPAC name of (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium?
The IUPAC name of (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium (CID 57287731) is (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium.
What is the SMILES notation for (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium?
The canonical SMILES for (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium is NC(CCCC(=O)[P+](O)(O)O)P(=O)(O)O.
What is the InChIKey of (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium?
The InChIKey is ZHQGIALTRNBOSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO7P2/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13/h4,11-13H,1-3,6H2,(H-,8,9,10)/p+1.
What are the key properties of (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium?
(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium has a molecular weight of 262.11 g/mol, XLogP of -1.11, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium is sourced from PubChem (CID 57287731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).