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1808153-91-4

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1 Suppliers, 1 End Use APIs, 17 Related Intermediates

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1 End Use APIs
17 Related Intermediates

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Also known as: (5s)-2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-4,7-dioxa-3,8-disiladecane, 1808153-91-4, 4,7-dioxa-3,8-disiladecane, 2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-, (5s)-

Molecular Formula

C₃₁H₅₆O₆SSi₂

Molecular Weight

613.0 g/mol

InChI Key

XKWMVKFHMNTIPA-MQKGOTMSSA-N

FDA UNII

QT3X9LSV55

1 2D Structure

1808153-91-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-[(4-methylphenyl)sulfonylmethyl]-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane

2.1.2 InChI

InChI=1S/C31H56O6SSi2/c1-14-15-27-26(22-38(32,33)25-18-16-23(2)17-19-25)29(34-9)28(36-27)20-24(37-40(12,13)31(6,7)8)21-35-39(10,11)30(3,4)5/h14,16-19,24,26-29H,1,15,20-22H2,2-13H3/t24-,26-,27-,28+,29+/m0/s1

2.1.3 InChI Key

XKWMVKFHMNTIPA-MQKGOTMSSA-N

2.2 Other Identifiers

2.2.1 UNII

QT3X9LSV55

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (none)

2.3.2 Depositor-Supplied Synonyms

1. (5s)-2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-4,7-dioxa-3,8-disiladecane

2. 1808153-91-4

3. 4,7-dioxa-3,8-disiladecane, 2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-, (5s)-

2.4 Create Date

2024-01-03

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₅₆O₆SSi₂
Molecular Weight	613.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	79.4
Heavy Atom Count	40
Formal Charge	0
Complexity	908
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1