D(+)-Raffinose pentahydrate - for cell culture, ≥99% , CAS No.17629-30-0

CAS: 17629-30-0 Cat. No.: R111690 Molecular Weight: 594.51 Beilstein Registry Number: 99541 EC Number: 605-771-2 PubChem CID: 46223008

GRADE & PURITY for Cell culture, ≥99%

Synonyms

MFCD00071590 | DS-14252 | O-a-D-Galactopyranosyl-(1-6)-a-D-glucopyranosyl b-D-fructofuranoside pentahydrate | 2-METHYLPROPANETRICARBOXYLICACID | AM83983 | D-(+)-Raffinose pentahydrate | D(+)-Raffinose pentahydrate | D-RaffinosePentahydrate | (3R,4S,5S,6R)

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00071590 | DS-14252 | O-a-D-Galactopyranosyl-(1-6)-a-D-glucopyranosyl b-D-fructofuranoside pentahydrate | 2-METHYLPROPANETRICARBOXYLICACID | AM83983 | D-(+)-Raffinose pentahydrate | D(+)-Raffinose pentahydrate | D-RaffinosePentahydrate | (3R, 4S, 5S, 6R)

Specifications & Purity

for cell culture, ≥99%

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

for Cell culture

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504770693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770693
• Canonical Smiles: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O
• IUPAC Name: (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
• InChIKey: BITMAWRCWSHCRW-XRZHKTLCSA-N
• INCHI: 1S/C18H32O16.5H2O/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18;;;;;/h5-17,19-29H,1-4H2;5*1H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+;;;;;/m1...../s1
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O
• WGK Germany: 3
• PubChem CID: 46223008
• Molecular Weight: 594.51
• Beilstein: 99541

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds C-glycosyl compounds Ketals Oxanes Oxolanes Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Oxolane - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic.
• Specific Rotation[α]: 105° (C=10,H2O)
• Melt Point(°C): 78-80°C
• Molecular Weight: 594.500 g/mol
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 8
• Exact Mass: 594.222 Da
• Monoisotopic Mass: 594.222 Da
• Topological Polar Surface Area: 274.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 6

XLogP3

References

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