Deacetylanisomycin

CAT: 0926-AD10047-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-AD10047-03Size:10 mg

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CAS Number

27958-06-1

MDL Number

MFCD28988630

Smiles

COC1=CC=C (C=C1) C[C@@H]2[C@@H] ([C@H] (CN2) O) O

Molecular Formula

C12H17NO3

Molecular Weight

223.27 g/mol

Controlled

Chemical Information

Deacetylanisomycin

deacetylanisomycin has been reported in Streptomyces with data available.

CAS Number	27958-06-1
PubChem CID	11790817
IUPAC Name	(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
Molecular Formula	C12H17NO3
Molecular Weight	223.27
XLogP	0.3
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	216

SMILES

COC1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H](CN2)O)O

InChI

InChI=1S/C12H17NO3/c1-16-9-4-2-8(3-5-9)6-10-12(15)11(14)7-13-10/h2-5,10-15H,6-7H2,1H3/t10-,11+,12+/m1/s1

InChIKey

UMWAPBCLJQSOJX-WOPDTQHZSA-N

Chemical Structure

2D Structure

CAS: 27958-06-1

CID: 11790817

Formula: C12H17NO3

MW: 223.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.27
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	223.12084340
Monoisotopic Mass	223.12084340
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19203439	Deacetylanisomycin
A20278-5	Deacetylanisomycin 5mg
A20278-1	Deacetylanisomycin 1mg
GTR19223638-01	Deacetylanisomycin hydrochloride
A20278-10	Deacetylanisomycin 10mg