Cas no 84799-31-5 (5-Epilithospermoside)

5-Epilithospermoside structure
5-Epilithospermoside structure
Product Name:5-Epilithospermoside
CAS No:84799-31-5
MF:C14H19NO8
MW:329.30256485939
CID:836791
PubChem ID:16043519
Update Time:2025-09-27

5-Epilithospermoside Chemical and Physical Properties

Names and Identifiers

    • 5-Epilithospermoside
    • (2Z)-[(4R,5R,6S)-6-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cycloh exen-1-ylidene]acetonitrile
    • AKOS040761176
    • 84799-31-5
    • FS-9091
    • Acetonitrile, [(4R,5R,6S)-6-(-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-, (2Z)-
    • (2Z)-2-[(4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
    • Acetonitrile, [6-(-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-, [4R-(1Z,4,5,6)]-; (2Z)-2-[(4R,5R,6S)-6-(-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]acetonitrile
    • Inchi: 1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9-,10-,11+,12-,13+,14+/m1/s1
    • InChI Key: WIIDBJNWXCWLKF-SSRKEPSLSA-N
    • SMILES: O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1O[C@H]1/C(=C\C#N)/C=C[C@H]([C@H]1O)O)O)O)O

Computed Properties

  • Exact Mass: 329.11100
  • Monoisotopic Mass: 329.11106656g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 526
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.3
  • Topological Polar Surface Area: 164?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 662.4±55.0 °C at 760 mmHg
  • Flash Point: 354.4±31.5 °C
  • PSA: 163.63000
  • LogP: -3.08692
  • Vapor Pressure: 0.0±4.6 mmHg at 25°C

5-Epilithospermoside Security Information

5-Epilithospermoside Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
E98290-5mg
(2Z)-[(4R,5R,6S)-6-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cycloh exen-1-ylidene]acetonitrile
84799-31-5 ,HPLC≥98%
5mg
¥3438.0 2023-09-07
ChemFaces
CFN97404-5 mg
5-Epilithospermoside
84799-31-5 >=98%
5mg
$463 2022-10-09
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN3109-5 mg
5-Epilithospermoside
84799-31-5
5mg
¥4861.00 2022-03-01
TargetMol Chemicals
TN3109-1 ml * 10 mm
5-Epilithospermoside
84799-31-5
1 ml * 10 mm
¥ 3430 2024-07-20
TargetMol Chemicals
TN3109-5 mg
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84799-31-5 98%
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¥ 3,330 2023-07-11
TargetMol Chemicals
TN3109-1 mL * 10 mM (in DMSO)
5-Epilithospermoside
84799-31-5 98%
1 mL * 10 mM (in DMSO)
¥ 3430 2023-09-15
TargetMol Chemicals
TN3109-5mg
5-Epilithospermoside
84799-31-5
5mg
¥ 3330 2024-07-20
ChemFaces
CFN97404-5mg
5-Epilithospermoside
84799-31-5 >=98%
5mg
$463 2023-09-19

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