NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
{2-[(5-carboxypentyl phosphonato)oxy]ethyl}trimethylazanium
|
|
|
IUPAC Traditional name
|
{2-[(5-carboxypentyl phosphonato)oxy]ethyl}trimethylazanium
|
|
|
Synonyms
|
2-[[[(5-Carboxypentyl)oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-ethanaminium Inner Salt
|
6-(O-Phosphorylcholine)hydroxyhexanoic Acid
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
TRC
|
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
1.8781894
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-2.7111735
|
LogD (pH = 7.4)
|
-4.4749484
|
Log P
|
-3.51508
|
Molar Refractivity
|
81.1685 cm3
|
Polarizability
|
28.15013 Å3
|
Polar Surface Area
|
95.89 Å2
|
Rotatable Bonds
|
11
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent