2,3,5,6-tetrafluoro-4-(sodiooxysulfonyl)phenyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12-tetraoxapentadecan-15-oate

2,3,5,6-tetrafluoro-4-(sodiooxysulfonyl)phenyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12-tetraoxapentadecan-15-oate

Formula: C26H27F4N4NaO10S

SMILES: CC1=NN=C(N=N1)C1=CC=C(OCCOCCOCCOCCOCCC(=O)OC2=C(F)C(F)=C(C(F)=C2F)S(=O)(=O)O[Na])C=C1

IUPAC: 2,3,5,6-tetrafluoro-4-[(sodiooxy)sulfonyl]phenyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1S/C26H28F4N4O10S.Na/c1-16-31-33-26(34-32-16)17-2-4-18(5-3-17)43-15-14-42-13-12-41-11-10-40-9-8-39-7-6-19(35)44-24-20(27)22(29)25(45(36,37)38)23(30)21(24)28;/h2-5H,6-15H2,1H3,(H,36,37,38);/q;+1/p-1

Composition: C (45.49%), H (3.96%), F (11.07%), N (8.16%), Na (3.35%), O (23.30%), S (4.67%)

Molar Mass: 686.56

Atom Count: 73

Heavy Atom Count: 46

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	686.12817119
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
InChIKey	ZVEHUGGBOGCIIC-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity	159.7
Topological Polar Surface Area	167.38
Polarizability	58.72
Ring Count	3
Rotatable Bond Count	21

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C26H27F4N4NaO10S		$140.81-$1,696.28$140.81$231.53$562.28$1,696.28