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Niazinin

CAT: 0607-BA2144-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2144-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147821-57-6
Form
A solid
Molecular Formula
C15H21NO6S
Molecular Weight
343.40
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Niazinin A
CAS Number147821-57-6
PubChem CID10088810
IUPAC NameO-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
Molecular FormulaC15H21NO6S
Molecular Weight343.4
XLogP0.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity390
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O
InChI
InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23)/t8-,11-,12+,13+,14-/m0/s1
InChIKey
ZOIAMMQYAZSWRX-CNJBRALLSA-N
Chemical Structure
2D Structure
2D structure of Niazinin A
CAS: 147821-57-6
CID: 10088810
Formula: C15H21NO6S
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass343.10895856
Monoisotopic Mass343.10895856
Topological Polar Surface Area133 Ų
Heavy Atom Count23
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N8471-01Niazinin
TBZ0656Niazinin A
TBZ0657Niazinin B

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