Convicine

CAT: 1596-AR-C08268-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08268-02Size:25 Units

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CAS Number

19286-37-4

Synonyms

6-amino-5- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) pyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C10H15N3O8

Molecular Weight

305.24

API Name

Convicine

Chemical Information

Convicine

Convicine is a glycoside.

CAS Number	19286-37-4
PubChem CID	88000
IUPAC Name	6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidine-2,4-dione
Molecular Formula	C10H15N3O8
Molecular Weight	305.24
XLogP	-3.4
Topological Polar Surface Area	184
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	481

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(NC(=O)NC2=O)N)O)O)O)O

InChI

InChI=1S/C10H15N3O8/c11-7-6(8(18)13-10(19)12-7)21-9-5(17)4(16)3(15)2(1-14)20-9/h2-5,9,14-17H,1H2,(H4,11,12,13,18,19)/t2-,3-,4+,5-,9+/m1/s1

InChIKey

JJWYIMQKLTVAGZ-SYCVNHKBSA-N

Chemical Structure

2D Structure

CAS: 19286-37-4

CID: 88000

Formula: C10H15N3O8

MW: 305.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.24
XLogP3	-3.4
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	305.08591445
Monoisotopic Mass	305.08591445
Topological Polar Surface Area	184 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	481
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