Cas no 164991-89-3 (Segetalin B)

Segetalin B structure
Segetalin B structure
Product Name:Segetalin B
CAS No:164991-89-3
MF:C24H32N6O5
MW:484.548085212708
CID:188761
PubChem ID:10345235
Update Time:2025-04-19

Segetalin B Chemical and Physical Properties

Names and Identifiers

    • Cyclo(L-alanylglycyl-L-valyl-L-alanyl-L-tryptophyl)
    • Segetalin B
    • Segetaline B
    • Vaccarin A
    • Segetalin-B
    • CHEMBL386632
    • (3S,6S,9S,12S)-6-(1H-indol-3-ylmethyl)-3,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
    • HY-107245
    • 164991-89-3
    • MS-29005
    • E88615
    • CS-0027753
    • SCHEMBL151686
    • AKOS040760076
    • (3S,6S,9S,12S)-6-((1H-Indol-3-yl)methyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentaone
    • product/154129
    • Cyclo(AGAVW)
    • (3S,6S,9S,12S)-6-(1H-indol-3-ylmethyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentone
    • DA-77779
    • Inchi: 1S/C24H32N6O5/c1-12(2)20-24(35)28-14(4)22(33)29-18(9-15-10-25-17-8-6-5-7-16(15)17)23(34)27-13(3)21(32)26-11-19(31)30-20/h5-8,10,12-14,18,20,25H,9,11H2,1-4H3,(H,26,32)(H,27,34)(H,28,35)(H,29,33)(H,30,31)/t13-,14-,18-,20-/m0/s1
    • InChI Key: VBQDUSUKSGAFMN-OACKDKIBSA-N
    • SMILES: O=C1[C@H](C(C)C)NC(CNC([C@H](C)NC([C@H](CC2=CNC3C=CC=CC2=3)NC([C@H](C)N1)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 484.24341814 g/mol
  • Monoisotopic Mass: 484.24341814 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 3
  • Complexity: 833
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 161
  • Molecular Weight: 484.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.177±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 999.4±65.0 °C at 760 mmHg
  • Flash Point: 558.2±34.3 °C
  • Solubility: Slightly soluble (1 g/l) (25 o C),
  • Vapor Pressure: No data available
  • pka: 13.35±0.70(Predicted)

Segetalin B Security Information

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Segetalin B Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:164991-89-3)Segetalin B
Order Number:A1013994
Stock Status:in Stock
Quantity:20mg
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:15
Price ($):376.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:164991-89-3)Segetalin B
A1013994
Purity:99%
Quantity:20mg
Price ($):376.0
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