1-[3-(pyridin-2-yldisulfanyl)propanamido]-3,6,9,12-tetraoxapentadecan-15-oic acid

1-[3-(pyridin-2-yldisulfanyl)propanamido]-3,6,9,12-tetraoxapentadecan-15-oic acid

CAS: 581065-97-6

Formula: C19H30N2O7S2

SMILES: OC(=O)CCOCCOCCOCCOCCNC(=O)CCSSC1=CC=CC=N1

IUPAC: 1-[3-(pyridin-2-yldisulfanyl)propanamido]-3,6,9,12-tetraoxapentadecan-15-oic acid

InChI: InChI=1S/C19H30N2O7S2/c22-17(5-16-29-30-18-3-1-2-6-21-18)20-7-9-26-11-13-28-15-14-27-12-10-25-8-4-19(23)24/h1-3,6H,4-5,7-16H2,(H,20,22)(H,23,24)

Composition: C (49.33%), H (6.54%), N (6.06%), O (24.21%), S (13.86%)

Molar Mass: 462.58

Atom Count: 60

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	462.149443662
Formal Charge	0
FSP3	0.63
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	IJDPYTZOKIVWAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.39
Topological Polar Surface Area	116.21
Polarizability	45.98
Ring Count	1
Rotatable Bond Count	20

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95%	<2 Days	581065-97-6		$340.20-$614.25$340.20$425.25$463.05$614.25