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Home> Encyclopedia >   /  Nutrition Enhancers  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Vitamins, Amino Acids and Coenzymes
b-D-Glucopyranoside,[6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl,2-acetate, [1S-(1a,4aa,6a,7b,7aa)]- (9CI) structure
b-D-Glucopyranoside,[6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl,2-acetate, [1S-(1a,4aa,6a,7b,7aa)]- (9CI) structure

b-D-Glucopyranoside,[6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl,2-acetate, [1S-(1a,4aa,6a,7b,7aa)]- (9CI)

Iupac Name:(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CAS No.:51-35-4
Molecular Weight:131.12986
1. Names and Identifiers
1.1 Name
b-D-Glucopyranoside,[6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl,2-acetate, [1S-(1a,4aa,6a,7b,7aa)]- (9CI)
1.2 Synonyms

ViburtinosideI

1.3 CAS No.
51-35-4
1.4 CID
5810
1.5 Molecular Formula
C36H48O20 (isomer)
1.6 Inchi
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
1.7 InChkey
PMMYEEVYMWASQN-DMTCNVIQSA-N
1.8 Canonical Smiles
C1C(CNC1C(=O)O)O
1.9 Isomers Smiles
C1[C@H](CN[C@@H]1C(=O)O)O
2. 3D Conformer
3. Properties
3.1 Density
1.514
3.2 Melting Point
274-275℃
3.3 Refractive Index
-75.5 ° (C=4, H2O)
3.4 Alpha
-75.5 o (C=5, H2O)
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
4.3 HazardClass
IRRITANT
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:131.12986g/mol
  • Molecular Formula:C36H48O20
  • Exact Mass:131.058243
  • Monoisotopic Mass:131.058243
  • Complexity:125
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:69.6
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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