9-{4-[(2-{[6-(azidomethyl)pyridin-3-yl]carbamoyl}ethyl)carbamoyl]-2-carboxyphenyl}-3,6-dihydroxy-10??-xanthen-10-ylium

9-{4-[(2-{[6-(azidomethyl)pyridin-3-yl]carbamoyl}ethyl)carbamoyl]-2-carboxyphenyl}-3,6-dihydroxy-10??-xanthen-10-ylium

Formula: C30H23N6O7

SMILES: OC(=O)C1=CC(=CC=C1C1=C2C=CC(O)=CC2=[O+]C2=CC(O)=CC=C12)C(=O)NCCC(=O)NC1=CC=C(CN=[N+]=[N-])N=C1

IUPAC: 9-{4-[(2-{[6-(azidomethyl)pyridin-3-yl]carbamoyl}ethyl)carbamoyl]-2-carboxyphenyl}-3,6-dihydroxy-10??-xanthen-10-ylium

InChI: InChI=1S/C30H22N6O7/c31-36-34-15-17-2-3-18(14-33-17)35-27(39)9-10-32-29(40)16-1-6-21(24(11-16)30(41)42)28-22-7-4-19(37)12-25(22)43-26-13-20(38)5-8-23(26)28/h1-8,11-14H,9-10,15H2,(H4-,32,35,37,38,39,40,41,42)/p+1

Composition: C (62.17%), H (4.00%), N (14.50%), O (19.32%)

Molar Mass: 579.548

Atom Count: 66

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	579.162273525
Formal Charge	1
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
InChIKey	DDHHLNYVCXSGJR-UHFFFAOYSA-O
Lipinski's Rule of Five
Molar Refractivity	156.43
Topological Polar Surface Area	191.42
Polarizability	60.71
Ring Count	5
Rotatable Bond Count	8

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C30H23N6O7		$131.36-$1,034.78$131.36$278.78$1,034.78