Cas no 154-61-0 (Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester)

Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester structure
154-61-0 structure
Product Name:Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester
CAS No:154-61-0
MF:C20H28O13
MW:476.428527832031
CID:155174
PubChem ID:3083558
Update Time:2025-07-11

Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester
    • methyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
    • Primulaverin
    • PRIMULAVERIN(AS) PrintBack
    • PRIMULAVERIN(SH)
    • 5-Methoxy-2-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzoic acid methyl ester
    • PRIMIN(SH)
    • PriMulaveroside
    • PRIMULAVERIN(P)
    • methyl 5-methoxy-2-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)benzoate
    • MFCD11111296
    • Benzoic acid, 5-methoxy-2-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, methyl ester
    • Primulaverin , HPLC Grade
    • Q27236571
    • 2-HYDROXY-5-METHOXY-METHYL BENZOATE-2-PRIMEVEROSIDE
    • 154-61-0
    • PRIMULAVERIN [MI]
    • AKOS040735710
    • DTXSID00934891
    • UNII-0B99IC5K2E
    • 0B99IC5K2E
    • BENZOIC ACID, 5-METHOXY-2-((6-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, METHYL ESTER
    • SCHEMBL377184
    • Methyl 5-methoxy-2-[(6-O-pentopyranosylhexopyranosyl)oxy]benzoate
    • CDWVFJJMYKSVHM-HSMQXHTESA-N
    • Inchi： 1S/C20H28O13/c1-28-8-3-4-11(9(5-8)18(27)29-2)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)10(21)6-30-19/h3-5,10,12-17,19-26H,6-7H2,1-2H3/t10-,12-,13+,14-,15+,16-,17-,19+,20-/m1/s1
    • InChI Key： CDWVFJJMYKSVHM-HSMQXHTESA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)OC1C=CC(=CC=1C(=O)OC)OC

Computed Properties

  • Exact Mass: 476.15300
  • Monoisotopic Mass: 476.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 8
  • Complexity: 635
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -2.5
  • Topological Polar Surface Area: 194A^2

Experimental Properties

  • Density: 1.56±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 161-163 oC
  • Boiling Point: 741.1 °C at 760 mmHg
  • Flash Point: 256.8 °C
  • Refractive Index: 1.623
  • Solubility: Slightly soluble (13 g/l) (25 o C),
  • PSA: 193.83000
  • LogP: -2.87620

Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Hazardous Material Identification： Xn
  • Storage Condition：2-8°C

Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
PHL89763-10MG
Benzoic acid,5-methoxy-2-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, methyl ester
 154-61-0
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 ￥6458.57 2023-09-09
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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SHENG KE LU SI SHENG WU JI SHU
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SHENG KE LU SI SHENG WU JI SHU
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