Name: Name:Garamine
Brand: Angene
SKU: AG00DVZZ
Rating: 90 (10 reviews)

Garamine

CAS No.:

49751-51-1

Catalog Number:

AG00DVZZ

Molecular Formula:

C13H27N3O6

Molecular Weight:

321.3700

Catalog Number:

AG00DVZZ

Chemical Name:

Garamine

CAS Number:

49751-51-1

Molecular Formula:

C13H27N3O6

Molecular Weight:

321.3700

MDL Number:

MFCD18086951

IUPAC Name:

(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

InChI:

InChI=1S/C13H27N3O6/c1-13(20)4-21-12(9(19)11(13)16-2)22-10-6(15)3-5(14)7(17)8(10)18/h5-12,16-20H,3-4,14-15H2,1-2H3/t5-,6+,7+,8-,9+,10-,11+,12+,13-/m0/s1

InChI Key:

ONKJLIUSEXIAKL-QUDADGMASA-N

SMILES:

CNC1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@@H]1[C@H](N)CC([C@H](C1O)O)N

UNII:

6NP76G3L65

Complexity:

389

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.374g/mol

Monoisotopic Mass:

321.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

163A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.3