Tetrahydrospectinomycin

benzyl N-[3-(3,4-dihydroxy-6-methyloxan-2-yl)oxy-2,4,6-trihydroxy-5-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]-N-methylcarbamate

Also Known As: Tetrahydrospectinomycin|4(R),4a(R)-Tetrahydrospectinomycin|benzyl N-[3-(3,4-dihydroxy-6-methyloxan-2-yl)oxy-2,4,6-trihydroxy-5-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]-N-methylcarbamate|dibenzyl{5-[(4,6-dideoxyhexopyranosyl)oxy]-2,4,6-trihydroxycyclohexane-1,3-diyl}bis(methylcarbamate)|D-myo-Inositol, 1,3-dideoxy-5-O-(4,6-dideoxy-beta-D-ribo-hexopyranosyl)-1,3-bis(methyl((phenylmethoxy)carbonyl)amino)-|Dibenzyl {5-[(4,6-dideoxyhexopyranosyl)oxy]-2,4,6-trihydroxycyclohexane-1,3-diyl}bis(methylcarbamate)

Molecular Formula	C30H40N2O11
Molecular Weight	604.2632 g/mol
LogP	0.3
Topological Polar Surface Area	179.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	604.2632
Monoisotopic Mass	604.2632
Heavy Atoms	43
Complexity	845.0

Chemical Identifiers

CAS Number	93129-27-2
SMILES	CC1CC(C(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)OCC3=CC=CC=C3)O)N(C)C(=O)OCC4=CC=CC=C4)O)O)O
InChIKey	SPNSXDDNTCSXTH-UHFFFAOYSA-N