Text Search
Structure Search

(3S,6R,9R,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis({[4-(morpholin-4-yl)phenyl]methyl})-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone

(3S,6R,9R,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis({[4-(morpholin-4-yl)phenyl]methyl})-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone

CAS: 155030-63-0

Formula: C60H90N6O14

SMILES: CC(C)C[C@H]1N(C)C(=O)[C@@H](CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC1=O

IUPAC: (3S,6R,9R,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis({[4-(morpholin-4-yl)phenyl]methyl})-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone

InChI: InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27

Composition: C (64.38%), H (8.10%), N (7.51%), O (20.01%)

Molar Mass: 1119.408

Atom Count: 170

Heavy Atom Count: 80

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 8
Exact Mass 1118.651501602
Formal Charge 0
FSP3 0.67
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 0
InChIKey ZMQMTKVVAMWKNY-CZOLZNPPSA-N
Lipinski's Rule of Five
Molar Refractivity 301.11
Topological Polar Surface Area 211.38
Polarizability 117.79
Ring Count 5
Rotatable Bond Count 14

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 155030-63-0 $261.03-$1,950.77$261.03$383.34$1,157.60$1,950.77
Request Quote