Moringin

CAT: 0127-BUP00355-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00355-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

73255-40-0

Purity

=98%

Smiles

O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C2=CC=C(CN=C=S)C=C2

Chemical Information

4(Alpha-L-Rhamnosyloxy)-Benzyl Isothiocyanate

CAS Number	73255-40-0
PubChem CID	153557
IUPAC Name	(2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
Molecular Formula	C14H17NO5S
Molecular Weight	311.36
XLogP	1.9
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	382

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CN=C=S)O)O)O

InChI

InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1

InChIKey

QAZIHHJTZPNRCM-CNJBRALLSA-N

Chemical Structure

2D Structure

CAS: 73255-40-0

CID: 153557

Formula: C14H17NO5S

MW: 311.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.36
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	311.08274382
Monoisotopic Mass	311.08274382
Topological Polar Surface Area	124 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
YCA25540-01	Moringin