3,6-diamino-9-{5-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-carboxyphenyl}-10??-xanthen-10-ylium

3,6-diamino-9-{5-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-carboxyphenyl}-10??-xanthen-10-ylium

Formula: C29H31N6O7

SMILES: NC1=CC2=[O+]C3=CC(N)=CC=C3C(C3=CC(=CC=C3C(O)=O)C(=O)NCCOCCOCCOCCN=[N+]=[N-])=C2C=C1

IUPAC: 3,6-diamino-9-{5-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-carboxyphenyl}-10??-xanthen-10-ylium

InChI: InChI=1S/C29H30N6O7/c30-19-2-5-22-25(16-19)42-26-17-20(31)3-6-23(26)27(22)24-15-18(1-4-21(24)29(37)38)28(36)33-7-9-39-11-13-41-14-12-40-10-8-34-35-32/h1-6,15-17H,7-14,30-31H2,(H-,33,36,37,38)/p+1

Composition: C (60.51%), H (5.43%), N (14.60%), O (19.46%)

Molar Mass: 575.601

Atom Count: 73

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	575.224873782
Formal Charge	1
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
InChIKey	USCBIGLLUZXHMG-UHFFFAOYSA-O
Lipinski's Rule of Five
Molar Refractivity	158.1
Topological Polar Surface Area	188.7
Polarizability	61.32
Ring Count	4
Rotatable Bond Count	14

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C29H31N6O7		$89.78-$1,507.28$89.78$263.66$641.66$1,507.28