GS-9005 TRIFLUOROACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H58N3O13PS.C2HF3O2
Molecular Weight	989.984
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.CCOC(=O)[C@H](C)OP(=O)(CCNCC1=CC=C(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)C4=CC=C(OC)C=C4)C=C1)OC5=CC=CC=C5

InChI

InChIKey=LIDMLUCFLHLWQR-OHLKIDSXSA-N

InChI=1S/C42H58N3O13PS.C2HF3O2/c1-6-53-40(47)30(4)57-59(49,58-34-10-8-7-9-11-34)23-21-43-25-32-14-12-31(13-15-32)24-37(44-42(48)56-39-28-55-41-36(39)20-22-54-41)38(46)27-45(26-29(2)3)60(50,51)35-18-16-33(52-5)17-19-35;3-2(4,5)1(6)7/h7-19,29-30,36-39,41,43,46H,6,20-28H2,1-5H3,(H,44,48);(H,6,7)/t30-,36-,37-,38+,39-,41+,59?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C42H58N3O13PS
Molecular Weight	875.961
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:27:11 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:11 GMT 2025`
Record UNII	WV2RG3Z5SZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GS-9005 TRIFLUOROACETATE

Code

English

ETHYL (2S)-2-(2-((4-((2S,3R)-2-(((3AS,4R,6AR)-2,3,3A,4,5,6A-HEXAHYDROFURO(2,3-B)FURAN-4-YL)OXYCARBONYLAMINO)-3-HYDROXY-4-(ISOBUTYL-(4-METHOXYPHENYL)SULFONYL-AMINO)BUTYL)PHENYL)METHYLAMINO)ETHYL-PHENOXY-PHOSPHORYL)OXYPROPANOATE; 2,2,2-TRIFLUOROACETIC ACID

Preferred Name

English

PROPANOIC ACID, 2-(((2-(((4-((2S,3R)-2-(((((3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-3-HYDROXY-4-(((4-METHOXYPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)BUTYL)PHENYL)METHYL)AMINO)ETHYL)PHENOXYPHOSPHINYL)OXY)-, ETHYL ESTER, (2S)-, MONO(TRI

Systematic Name

English

PROPANOIC ACID, 2-(((2-(((4-((2S,3R)-2-(((((3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-3-HYDROXY-4-(((4-METHOXYPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)BUTYL)PHENYL)METHYL)AMINO)ETHYL)PHENOXYPHOSPHINYL)OXY)-, ETHYL ESTER, (2S)-, 2,2,2-TR

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613986

Created by admin on Mon Mar 31 23:27:11 GMT 2025 , Edited by admin on Mon Mar 31 23:27:11 GMT 2025

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CAS

622868-62-6

Created by admin on Mon Mar 31 23:27:11 GMT 2025 , Edited by admin on Mon Mar 31 23:27:11 GMT 2025

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FDA UNII

WV2RG3Z5SZ

Created by admin on Mon Mar 31 23:27:11 GMT 2025 , Edited by admin on Mon Mar 31 23:27:11 GMT 2025

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