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| CAS No.: | 17629-30-0 |
|---|---|
| Name: | D(+)-Raffinose pentahydrate |
| Molecular Structure: | |
|
|
|
| Formula: |
C18H |
| Molecular Weight: | 594.519 |
| Synonyms: | Raffinose,pentahydrate (8CI);a-D-Glucopyranoside, b-D-fructofuranosyl O-a-D-galactopyranosyl-(1?;6)-, pentahydrate (9CI);D-(+)-Raffinose pentahydrate;D-Raffinosepentahydrate; |
| EINECS: | 208-146-9 |
| Density: | 1.465 |
| Melting Point: | 78-80.5 °C |
| Boiling Point: | 884.8 °C at 760 mmHg |
| Flash Point: | 488.9 °C |
| Solubility: | 143 g/L |
| Appearance: | White crystalline powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/38 |
| Safety: | S24/25 |
| PSA: | 314.83000 |
| LogP: | -7.89290 |
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Chemistry
Product Name: alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate (CAS NO.17629-30-0)
Molecular Formula: C18H42O21
Molecular Weight: 594.5135g/mol
Mol File: 17629-30-0.mol
Boiling point: 884.8 °C at 760 mmHg
Flash Point: 488.9 °C
Enthalpy of Vaporization: 146.07 kJ/mol
H-Bond Donor: 16
H-Bond Acceptor: 21
Structure Descriptors of alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate (CAS NO.17629-30-0):
IUPAC Name: 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triolpentahydrate
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
InChI: 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
InChIKey: BITMAWRCWSHCRW-UHFFFAOYSA-N
Safety Profile
Safety Information of alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate (CAS NO.17629-30-0):
Safety Statements: 24/25
24: Avoid contact with skin
25: Avoid contact with eyes