CAS 119665-62-2

Also known as: Akos025402359, Ac-8371

Molecular Formula

C₄₉H₉₆N₂O₁₄Si₂

Molecular Weight

993.5 g/mol

InChI Key

SFTHBPKNOPSKEE-JNZBUZBNSA-N

1 2D Structure

CAS 119665-62-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-10-(2-ethoxypropan-2-yloxyimino)-14-ethyl-12,13-dihydroxy-7-methoxy-4-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxyoxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

2.1.2 InChI

InChI=1S/C49H96N2O14Si2/c1-24-36-49(13,54)41(52)31(5)38(50-65-46(9,10)57-25-2)29(3)27-47(11,55-16)42(62-45-40(63-66(18,19)20)35(51(14)15)26-30(4)58-45)32(6)39(33(7)44(53)60-36)61-37-28-48(12,56-17)43(34(8)59-37)64-67(21,22)23/h29-37,39-43,45,52,54H,24-28H2,1-23H3/b50-38+/t29-,30+,31+,32+,33-,34+,35-,36-,37?,39+,40+,41-,42-,43+,45?,47-,48-,49-/m1/s1

2.1.3 InChI Key

SFTHBPKNOPSKEE-JNZBUZBNSA-N

2.1.4 Canonical SMILES

CCC1C(C(C(C(=NOC(C)(C)OCC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O[Si](C)(C)C)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O[Si](C)(C)C)(C)OC)C)C)O)(C)O

2.1.5 Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC(C)(C)OCC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2C[C@@]([C@H]([C@@H](O2)C)O[Si](C)(C)C)(C)OC)C)OC3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)O[Si](C)(C)C)(C)OC)C)C)O)(C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Akos025402359

2. Ac-8371

2.3 Create Date

2010-05-14

3 Chemical and Physical Properties

Molecular Formula	C₄₉H₉₆N₂O₁₄Si₂
Molecular Weight	993.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	16
Exact Mass	992.64000881 g/mol
Monoisotopic Mass	992.64000881 g/mol
Topological Polar Surface Area	175 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1600
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

119665-62-2

End Use API

Clarithromycin

About the Company

Dorrapharma is engaged in R&D, manufacture and market of intermediate, API (Active Pharmaceutical Ingredi...

Dorrapharma is engaged in R&D, manufacture and market of intermediate, API (Active Pharmaceutical Ingredients) and formulation. We stick to raise the value both for the company and customer, and strive for serving for the society and caring of the others. We devote ourselves completely to the technology innovation and brand build, and make every effort to foster the core competence for the company. We are in a progress of becoming a global leading pharmaceutical server.

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