Products for Research Use Only
RegisterLogin

BPH715

CAT: 0926-JSB67723-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-JSB67723-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1059677-23-4
Smiles
CCCCCCCCCCOC1=C[N+] (=CC=C1) CC (P (=O) (O) O) P (=O) (O) [O-]
Molecular Formula
C17H31NO7P2
Molecular Weight
423.4 g/mol
Controlled
No

Chemical Information

Bph-715
CAS Number1059677-23-4
PubChem CID25014899
IUPAC Name[2-(3-decoxypyridin-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate
Molecular FormulaC17H31NO7P2
Molecular Weight423.4
XLogP1.8
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity491
SMILES
CCCCCCCCCCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)[O-]
InChI
InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
InChIKey
QYJHUOZDBUEKQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bph-715
CAS: 1059677-23-4
CID: 25014899
Formula: C17H31NO7P2
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass423.15757632
Monoisotopic Mass423.15757632
Topological Polar Surface Area131 Ų
Heavy Atom Count27
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products