Text Search
Structure Search

11-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-({5-hydroxy-4-methoxy-4,6-dimethyl-5-[(propylamino)methyl]oxan-2-yl}oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

11-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-({5-hydroxy-4-methoxy-4,6-dimethyl-5-[(propylamino)methyl]oxan-2-yl}oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

CAS: 217500-96-4

Formula: C41H79N3O12

SMILES: CCCNCC1(O)C(C)OC(CC1(C)OC)OC1C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CNC(C)C(O)C(C)(O)C(CC)OC(=O)C1C

IUPAC: 11-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-({5-hydroxy-4-methoxy-4,6-dimethyl-5-[(propylamino)methyl]oxan-2-yl}oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

InChI: InChI=1/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3

Composition: C (61.09%), H (9.88%), N (5.21%), O (23.82%)

Molar Mass: 806.092

Atom Count: 135

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 18
Exact Mass 805.566374996
Formal Charge 0
FSP3 0.98
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 7
InChIKey GUARTUJKFNAVIK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 210.7
Topological Polar Surface Area 200.9
Polarizability 86.04
Ring Count 3
Rotatable Bond Count 11

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 217500-96-4 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
90% <16 Days 217500-96-4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote