Cas no 261506-27-8 (Fulvestrant 3-b-D-Glucuronide)

Fulvestrant 3-b-D-Glucuronide structure
Fulvestrant 3-b-D-Glucuronide structure
Product Name:Fulvestrant 3-b-D-Glucuronide
CAS No:261506-27-8
MF:C38H55F5O9S
MW:782.894929170609
CID:825427
PubChem ID:11072768
Update Time:2025-04-19

Fulvestrant 3-b-D-Glucuronide Chemical and Physical Properties

Names and Identifiers

    • Fulvestrant 3-β-D-Glucuronide
    • Fulvestrant 3-b-D-Glucuronide
    • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (7.ALPHA.,17.BETA.)-17-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIEN-3-YL
    • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
    • Fulvestrant 3-beta-D-glucuronide
    • (7alpha,17beta)-17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl beta-D-Glucopyranosiduronic Acid;
    • DTXSID70454112
    • Fulvestrant 3-
    • Fulvestrant 3-?-D-Glucuronide
    • FULVESTRANT 3-.BETA.-D-GLUCURONIDE
    • CS-0616783
    • HY-148225
    • UNII-RB33MP5RCR
    • beta-D-Glucopyranosiduronic acid, (7alpha,17beta)-17-hydroxy-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-trien-3-yl
    • A-D-Glucuronide
    • RB33MP5RCR
    • 261506-27-8
    • DA-53426
    • Inchi: 1S/C38H55F5O9S/c1-36-17-15-26-25-12-11-24(51-35-32(47)30(45)31(46)33(52-35)34(48)49)21-23(25)20-22(29(26)27(36)13-14-28(36)44)10-7-5-3-2-4-6-8-18-53(50)19-9-16-37(39,40)38(41,42)43/h11-12,21-22,26-33,35,44-47H,2-10,13-20H2,1H3,(H,48,49)/t22-,26-,27+,28+,29-,30+,31+,32-,33+,35-,36+,53?/m1/s1
    • InChI Key: RSOPWVCNVAHMQZ-HMGPPUQISA-N
    • SMILES: S(CCCC(C(F)(F)F)(F)F)(CCCCCCCCC[C@@H]1CC2C=C(C=CC=2[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]21)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)=O

Computed Properties

  • Exact Mass: 782.34869531g/mol
  • Monoisotopic Mass: 782.34869531g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 17
  • Complexity: 1230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.6
  • Topological Polar Surface Area: 173?2

Fulvestrant 3-b-D-Glucuronide Pricemore >>

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