Nectrisine

CAT: 0931-T202364-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202364-01Size:10 mg

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

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CAS Number

108692-47-3

Bioactivity

Nectrisine is produced by the fungus Nectria lucida F-4490 and acts as an inhibitor of alpha-glucosidases.

Smiles

C(O)[C@@H]1[C@@H](O)[C@H](O)C=N1

Molecular Formula

C5H9NO3

Molecular Weight

131.13

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Nectrisine

Nectrisine is a pyrroline.

CAS Number	108692-47-3
PubChem CID	122106
IUPAC Name	(2R,3R,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
Molecular Formula	C5H9NO3
Molecular Weight	131.13
XLogP	-1.9
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	125

SMILES

C1=N[C@@H]([C@H]([C@H]1O)O)CO

InChI

InChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4+,5-/m1/s1

InChIKey

QUPCOXZVKXONSC-MROZADKFSA-N

Chemical Structure

2D Structure

CAS: 108692-47-3

CID: 122106

Formula: C5H9NO3

MW: 131.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.13
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	131.058243149
Monoisotopic Mass	131.058243149
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	125
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
GTR19242185-01	Nectrisine