Tri (quinolin-8-yl) phosphate

CAT: 0127-OR1101946Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1101946Size:5 g

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CAS Number

52429-99-9

MDL Number

MFCD00042802

Purity

95%

Smiles

O=P (OC1=C2N=CC=CC2=CC=C1) (OC3=C4N=CC=CC4=CC=C3) OC5=C6N=CC=CC6=CC=C5

Chemical Information

Triquinolin-8-yl phosphate

CAS Number	52429-99-9
PubChem CID	103632
IUPAC Name	triquinolin-8-yl phosphate
Molecular Formula	C27H18N3O4P
Molecular Weight	479.4
XLogP	5.8
Topological Polar Surface Area	83.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	661

SMILES

C1=CC2=C(C(=C1)OP(=O)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2

InChI

InChI=1S/C27H18N3O4P/c31-35(32-22-13-1-7-19-10-4-16-28-25(19)22,33-23-14-2-8-20-11-5-17-29-26(20)23)34-24-15-3-9-21-12-6-18-30-27(21)24/h1-18H

InChIKey

RFZXFOYQOFYOKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52429-99-9

CID: 103632

Formula: C27H18N3O4P

MW: 479.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	479.4
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	479.10349306
Monoisotopic Mass	479.10349306
Topological Polar Surface Area	83.4 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	661
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1066587-01	Quinolin-8-yl acrylate
OR15296	(Quinolin-8-yl) thiourea
OR1056498	Quinolin-8-yl acetate
PC1001301-01	Quinolin-8-yl trifluoromethanesulfonate
OR346387	(Quinolin-8-yl) methylamine
OR953534-01	Quinolin-8-yl-acetic acid
OR1093664	1- (quinolin-8-yl) ethanol
OR300272-01	1- (Quinolin-8-yl) ethanone
OR1092793-01	Phenyl (quinolin-8-yl) methanone
OR1051941-01	N- (Quinolin-8-yl) acetamide

Catalog	Name
AR-C08415-01	Creatine Phosphate Impurity 8
AR-C07968-01	Clindamycin Phosphate Impurity 8
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sc-253735	Tri (8-quinolyl) phosphate
HY-165099-01	C-8 Ceramide-1-phosphate
RM-C223008-01	Creatint Phosphate Sodium Impurity 8
69049-01	Phosphate Buffer, pH 8.0
AR-H07777-01	6,8-Difluoro-Hymecromone Phosphate
FD140576-01	Diethyl (5-phenylisoxazol-3-yl) phosphate
AR-P31454-01	Tris (1-chloropropan-2-yl) Phosphate