9-{5-[(6-azidohexyl)carbamoyl]-2-carboxyphenyl}-2,7-difluoro-3,6-dihydroxy-10??-xanthen-10-ylium

9-{5-[(6-azidohexyl)carbamoyl]-2-carboxyphenyl}-2,7-difluoro-3,6-dihydroxy-10??-xanthen-10-ylium

Formula: C27H23F2N4O6

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

IUPAC: 9-{5-[(6-azidohexyl)carbamoyl]-2-carboxyphenyl}-2,7-difluoro-3,6-dihydroxy-10??-xanthen-10-ylium

InChI: InChI=1S/C27H22F2N4O6/c28-19-10-17-23(12-21(19)34)39-24-13-22(35)20(29)11-18(24)25(17)16-9-14(5-6-15(16)27(37)38)26(36)31-7-3-1-2-4-8-32-33-30/h5-6,9-13H,1-4,7-8H2,(H3-,31,34,35,36,37,38)/p+1

Composition: C (60.33%), H (4.31%), F (7.07%), N (10.42%), O (17.86%)

Molar Mass: 537.499

Atom Count: 62

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	537.158017223
Formal Charge	1
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	MTFWLODVVVSXQC-UHFFFAOYSA-O
Lipinski's Rule of Five
Molar Refractivity	138.67
Topological Polar Surface Area	149.43
Polarizability	53.86
Ring Count	4
Rotatable Bond Count	9

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C27H23F2N4O6		$140.81-$2,173.50$140.81$373.28$1,412.78$2,173.50