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  2. 3031-98-9
L-xylo-2-Hexulosonic Acid Methyl Ester | 3031-98-9

Product name:L-xylo-2-Hexulosonic Acid Methyl Ester

CAS No:3031-98-9
MF:C7H12O7
MW:208.16598
MDL:MFCD00021987
CID:309341
PubChem ID:200979
Names and Identifiers
  • (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
  • L-xylo-2-Hexulosonicacid, methyl ester
  • methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
  • METHYL 2-KETO-L-GULONATE
  • 2-Keto-L-gulonic acid methyl ester
  • 2-Keto-l-gulonsaeuremethylester
  • 2-Oxo-L-gulonsaeure-methylester
  • Gulonic acid,2-keto-,methyl ester,L
  • Methyl L-xylo-hexulosonate
  • Xylohexulosonic acid,methyl ester
  • NSC 163924
  • UNII-IF3VWH6PCF
  • KPHIBLNUVRGOGU-LMVFSUKVSA-N
  • MFCD00021987
  • A876219
  • Methyl 2-keto-L-gulonate
  • Xylohexulosonic acid, methyl ester
  • NSC-163924
  • Q27280695
  • L-xylo-2-Hexulosonic Acid Methyl Ester
  • METHYL L-XYLO-HEX-2-ULOSONATE
  • 3031-98-9
  • methyl L-sorbosonate
  • Gulonic acid, 2-keto-, methyl ester, L-
  • L-xylo-2-Hexulosonic acid, methyl ester
  • NSC163924
  • 2-KETO-L-GULONIC ACID METHYL ESTER [MI]
  • ASCORBIC ACID IMPURITY D [EP IMPURITY]
  • IF3VWH6PCF
  • WLN: Q1YQYQYQVVO1
  • Methyl L-xylo-Hex-2-ulosonate (Methyl L-Sorbosonate)
  • AM806609
  • D81974
  • DTXSID50184405
  • Methyl L-xylohexulosonate
  • CS-0150930
  • MDL:MFCD00021987
  • InChIKey:KPHIBLNUVRGOGU-LMVFSUKVSA-N
  • Inchi:InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3/t3-,4+,5-/m0/s1
  • SMILES:COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 208.05800
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Rotatable Bond Count: 6
  • Monoisotopic Mass: 208.058
  • Heavy Atom Count: 14
  • Complexity: 214
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: -2.5
  • Topological Polar Surface Area: 124A^2

Experimental Properties

  • LogP: -3.19650
  • PSA: 124.29000
  • Refractive Index: 1.535
  • Boiling Point: 495.4°Cat760mmHg
  • Melting Point: 158-159 ºC
  • Flash Point: 204.6°C
  • Solubility: Dissolution (62 g/l) (25 º C),
  • Density: 1.532±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • Safety Instruction:CAUT
  • Hazard Statement:CAUTION: May irritate eyes, skin
Customs Data
  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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