(1Z,3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-10-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one
Properties
- Molecular formula
- C37H66N2O12
- Molar mass
- 730.94 g/mol
- Exact mass
- 730.4616 Da
- Melting point
- 129–130 °C
- logP
- 2.41Crippen estimate
- Polar surface area
- 178.2 Ų
- H-bond donors / acceptors
- 4 / 14
- Rotatable bonds
- 7
Identifiers
CAS number
99290-97-8SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2InChIKey
BPENQAXMHXRNMD-ULJZSMOKSA-NInChI
InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 7,16-Dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one, 10-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (1Z,3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-
- 7,16-Dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one, 10-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [3R-(3R*,4R*,5S*,6R*,9R*,10S*,11S*,12R*,13R*,15R*)]-