28-carboxy-6,9,12,15,18,21,24,27-octaoxa-1,2,3-triazaoctacosa-1,2-dien-2-ium

28-carboxy-6,9,12,15,18,21,24,27-octaoxa-1,2,3-triazaoctacosa-1,2-dien-2-ium

Formula: C18H36N3O10

SMILES: OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=N

IUPAC: 28-carboxy-6,9,12,15,18,21,24,27-octaoxa-1,2,3-triazaoctacosa-1,2-dien-2-ium

InChI: InChI=1S/C18H35N3O10/c19-21-20-1-2-24-3-4-25-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30-15-16-31-17-18(22)23/h19H,1-17H2/p+1

Composition: C (47.57%), H (7.98%), N (9.25%), O (35.20%)

Molar Mass: 454.496

Atom Count: 67

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	454.239520791
Formal Charge	1
FSP3	0.94
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	2
InChIKey	WIJBLMWBQYKSSV-UHFFFAOYSA-O
Lipinski's Rule of Five
Molar Refractivity	110.11
Topological Polar Surface Area	147.35
Polarizability	42.8
Ring Count	0
Rotatable Bond Count	26

Suppliers

PurePEG,LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C18H36N3O10		$556.60$556.60