1-{[(benzyloxy)carbonyl]amino}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

1-{[(benzyloxy)carbonyl]amino}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

CAS: 1334177-87-5

Formula: C27H45NO12

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1=CC=CC=C1

IUPAC: 1-{[(benzyloxy)carbonyl]amino}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

InChI: InChI=1S/C27H45NO12/c29-26(30)6-8-32-10-12-34-14-16-36-18-20-38-22-23-39-21-19-37-17-15-35-13-11-33-9-7-28-27(31)40-24-25-4-2-1-3-5-25/h1-5H,6-24H2,(H,28,31)(H,29,30)

Composition: C (56.34%), H (7.88%), N (2.43%), O (33.35%)

Molar Mass: 575.652

Atom Count: 85

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	575.294175893
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
InChIKey	ISVOBOLHCFBPFZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.73
Topological Polar Surface Area	149.47
Polarizability	57.14
Ring Count	1
Rotatable Bond Count	30

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