Product Code
C100077
CAS
31282-04-9
Details
Chemical Properties
Hazards
Transport
Documentation
Product Code
C100077
CAS Number
31282-04-9
IUPAC
(3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
Canonical Smiles
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H]([C@@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O
InChI
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20?/m1/s1
InChI Key
GRRNUXAQVGOGFE-HUCHGKBZSA-N
UNSPSC Code
12352200
SKU
C100077
Molecular Weight
527.23
Logp
-7.27
H Bond Acceptors
16
H Bond Donors
11
Fsp3
1
State
Liquid
Relative Density
1.024
SDS Documents
Pictograms
GHS05: Corrosive
GHS06: Toxic
GHS07: Harmful/Irritant
GHS08: Health Hazard
Signal Word
Danger
Un Number
3462
Packing Group
I
Hazard Class
6.1
Shipping Name
TOXINS EXTRACTED FROM LIVING SOURCES, SOLID, N.O.S.
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