General
Preferred name
RAFFINOSE
Synonyms
D(+)-Raffinose pentahydrate ()
D-Raffinose Pentahydrate ()
D(+)-Raffinose (pentahydrate) ()
D-Raffinose (pentahydrate) ()
Melitose ()
D-(+)-Raffinose pentahydrate ()
Melitose, Melitriose ()
D-(+)-Raffinose (hydrate?) ()
P&D ID
PD088140
CAS
17629-30-0
512-69-6
Tags
drug candidate
natural product
available
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
5
Cayman Chemical Bioactives
16773
DrugBank
DB16839
MedChem Express Bioactive Compound Library
HY-N1938
HY-N7088
Selleckchem Bioactive Compound Library
d-r-affinose-pentahydrate
raffinose
TargetMol Bioactive Compound Library
T3S0309
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
504.17
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
11
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
0
cLogP
-7.57
TPSA
268.68
Fraction CSP3
1.0
Chiral centers
14.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data