Cas no 88192-98-7 (Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI))

Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI) structure
88192-98-7 structure
Product Name:Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI)
CAS No:88192-98-7
MF:C23H31NO6
MW:417.495347261429
CID:721833
PubChem ID:135455925
Update Time:2024-03-01

Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI)
    • Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl est
    • methyl N-[(E,5R)-5-[(5E)-5-[(2E,4E)-1-hydroxy-2,5-dimethylocta-2,4-dienylidene]-4,6-dioxopyran-2-yl]hex-1-enyl]carbamate
    • myxopyronin A
    • Carbamic acid, N-[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadien-1-yl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexen-1-yl]-, methyl ester
    • Myx
    • CS-0083959
    • V4A3T7BVQ8
    • NE6
    • Methyl ((R,E)-5-(3-((2E,4E)-2,5-dimethylocta-2,4-dienoyl)-4-hydroxy-2-oxo-2H-pyran-6-yl)hex-1-en-1-yl)carbamate
    • 3dxj
    • DTXSID501317768
    • methyl N-[(1E,5R)-5-{3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}hex-1-en-1-yl]carbamate
    • Carbamic acid, [5-[3-(2,5-dimethyl-1-oxo-2,4-octadienyl)-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-, methyl ester, [R-(E,E,E)]-
    • 88192-98-7
    • Carbamic acid, [(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-, methyl ester
    • MYXOPORIN A
    • CHEMBL2204381
    • AKOS040746143
    • HY-122334
    • Carbamic acid, (5-(3-(2,5-dimethyl-1-oxo-2,4-octadienyl)-4-hydroxy-2-oxo-2H-pyran-6-yl)-1-hexenyl)-, methyl ester, (R-(E,E,E))-
    • Inchi： 1S/C23H31NO6/c1-6-9-15(2)11-12-17(4)21(26)20-18(25)14-19(30-22(20)27)16(3)10-7-8-13-24-23(28)29-5/h8,11-14,16,25H,6-7,9-10H2,1-5H3,(H,24,28)/b13-8+,15-11+,17-12+/t16-/m1/s1
    • InChI Key： UQFNCSLGZUJVQP-JNZIYJEQSA-N
    • SMILES： C(OC)(=O)N/C=C/CC[C@H](C1OC(=O)C(C(=O)/C(/C)=C/C=C(\C)/CCC)=C(O)C=1)C

Computed Properties

  • Exact Mass: 417.215138
  • Monoisotopic Mass: 417.215138
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 11
  • Complexity: 814
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 102
  • XLogP3: 5.3

Experimental Properties

  • Density: 1.152
  • Boiling Point: 569.2°C at 760 mmHg
  • Flash Point: 298.1°C
  • Refractive Index: 1.542
  • pka: 5.14±0.50(Predicted)

Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI) Related Literature

Related Categories

88192-98-7 (Carbamic acid,[(1E,5R)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-octadienyl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-hexenyl]-,methyl ester (9CI)) Related Products

Recommended suppliers
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.