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1-amino-N-(2-{bis[2-(1-amino-3,6,9,12,15-pentaoxaoctadecan-18-amido)ethyl]amino}ethyl)-3,6,9,12,15-pentaoxaoctadecan-18-amide

1-amino-N-(2-{bis[2-(1-amino-3,6,9,12,15-pentaoxaoctadecan-18-amido)ethyl]amino}ethyl)-3,6,9,12,15-pentaoxaoctadecan-18-amide

CAS: 2055013-52-8

Formula: C45H93N7O18

SMILES: NCCOCCOCCOCCOCCOCCC(=O)NCCN(CCNC(=O)CCOCCOCCOCCOCCOCCN)CCNC(=O)CCOCCOCCOCCOCCOCCN

IUPAC: 1-amino-N-(2-{bis[2-(1-amino-3,6,9,12,15-pentaoxaoctadecan-18-amido)ethyl]amino}ethyl)-3,6,9,12,15-pentaoxaoctadecan-18-amide

InChI: InChI=1S/C45H93N7O18/c46-4-16-59-22-28-65-34-40-68-37-31-62-25-19-56-13-1-43(53)49-7-10-52(11-8-50-44(54)2-14-57-20-26-63-32-38-69-41-35-66-29-23-60-17-5-47)12-9-51-45(55)3-15-58-21-27-64-33-39-70-42-36-67-30-24-61-18-6-48/h1-42,46-48H2,(H,49,53)(H,50,54)

Composition: C (52.98%), H (9.19%), N (9.61%), O (28.23%)

Molar Mass: 1020.27

Atom Count: 163

Heavy Atom Count: 70

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 1019.657709183
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 22
Hydrogen Bond Donor Count 6
InChIKey CMUGXZWNMJJZQZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 262
Topological Polar Surface Area 307.05
Polarizability 104
Ring Count 0
Rotatable Bond Count 60

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Purity LeadTime CAS UnitPrice
98% <10 Days 2055013-52-8 Quote Only
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2055013-52-8 $425.25-$1,275.75$425.25$859.95$1,275.75
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