Shanghai Stepuppharm

3-((2S,5S)-5-(2-((2S,4R,6R)-6-(((2S,3S,4R,5R)-5-((S)-2,3-bis((tert-butyldimethylsilyl)oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)methyl)-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl)-4-methylenetetrahydrofuran-2-yl)propan-1

Chemistry, 1 End Use API, 9 Related Intermediates

Manufacturers/Suppliers

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1 Suppliers

3-((2S,5S)-5-(2-((2S,4R,6R)-6-(((2S,3S,4R,5R)-5-((S)-2,3-bis((tert-butyldimethylsilyl)oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)methyl)-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl)-4-methylenetetrahydrofuran-2-yl)propan-1

Also known as: 253128-10-8, 3-((2s,5s)-5-(2-((2s,4r,6r)-6-(((2s,3s,4r,5r)-5-((s)-2,3-bis((tert-butyldimethylsilyl)oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)methyl)-4-methyl-5-methylenetetrahydro-2h-pyran-2-yl)ethyl)-4-methylenetetrahydrofuran-2-yl)propan-1-ol, Ex-a4873a, Pppcyasytnjmtf-vsrpwgllsa-n, Er804028, Er 804028

Molecular Formula

C₄₅H₇₈O₉SSi₂

Molecular Weight

851.3 g/mol

InChI Key

PPPCYASYTNJMTF-VSRPWGLLSA-N

1 2D Structure

3-((2S,5S)-5-(2-((2S,4R,6R)-6-(((2S,3S,4R,5R)-5-((S)-2,3-bis((tert-butyldimethylsilyl)oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)methyl)-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl)-4-methylenetetrahydrofuran-2-yl)propan-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propan-1-ol

2.1.2 InChI

InChI=1S/C45H78O9SSi2/c1-31-25-35(22-23-39-32(2)26-34(51-39)19-18-24-46)52-40(33(31)3)28-41-38(30-55(47,48)37-20-16-15-17-21-37)43(49-10)42(53-41)27-36(54-57(13,14)45(7,8)9)29-50-56(11,12)44(4,5)6/h15-17,20-21,31,34-36,38-43,46H,2-3,18-19,22-30H2,1,4-14H3/t31-,34+,35+,36+,38+,39+,40-,41+,42-,43-/m1/s1

2.1.3 InChI Key

PPPCYASYTNJMTF-VSRPWGLLSA-N

2.1.4 Canonical SMILES

CC1CC(OC(C1=C)CC2C(C(C(O2)CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)CS(=O)(=O)C3=CC=CC=C3)CCC4C(=C)CC(O4)CCCO

2.1.5 Isomeric SMILES

C[C@@H]1C[C@@H](O[C@@H](C1=C)C[C@H]2[C@@H]([C@H]([C@H](O2)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)CS(=O)(=O)C3=CC=CC=C3)CC[C@H]4C(=C)C[C@@H](O4)CCCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 253128-10-8

2. 3-((2s,5s)-5-(2-((2s,4r,6r)-6-(((2s,3s,4r,5r)-5-((s)-2,3-bis((tert-butyldimethylsilyl)oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)methyl)-4-methyl-5-methylenetetrahydro-2h-pyran-2-yl)ethyl)-4-methylenetetrahydrofuran-2-yl)propan-1-ol

3. Ex-a4873a

4. Pppcyasytnjmtf-vsrpwgllsa-n

5. Er804028

6. Er 804028

7. 3-((2s,5s)-5-(2-((2s,4r,6r)-6-(((2s,3s,4r,5r)-5-((s)-2,3-bis((tert-butyldimethylsilyl) Oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)methyl)-4-methyl-5-methylenetetrahydro-2h-pyran-2-yl)ethyl)-4-methylenetetrahydrofuran-2-yl)propan-1-ol

2.3 Create Date

2013-06-24

3 Chemical and Physical Properties

Molecular Formula	C₄₅H₇₈O₉SSi₂
Molecular Weight	851.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	21
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	118
Heavy Atom Count	57
Formal Charge	0
Complexity	1410
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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methyl 3-trimethylsilylpent-4-enoate

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CAS Number

185411-12-5

End Use API

Eribulin

About the Company

Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are ...

Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are Senior R&D persons and have more than 10 years experience in the Drug R&D field. Our core competitiveness is the Process development and optimization including Route design, process optimization to industrial production,of the API and their intermediate product. According to customer demand, we are able to offer the professional and integrated service of the drug process de

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