NITD-203

CAT: 0931-T71235-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71235-01Size:25 mg

Selected

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

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CAS Number

1207518-71-5

Target

Others

Related Pathways

Others

Bioactivity

NITD-203 is a flavivirus inhibitor.

Smiles

C(#C)[C@]1(O)[C@H](N2C=3C(C(C(N)=O)=C2)=C(N)N=CN3)O[C@H](COC(C(C)C)=O)[C@H]1OC(C(C)C)=O

Molecular Formula

C22H27N5O7

Molecular Weight

473.48

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3',5'-O-Diisobutyryl-2'-C-acetylene-7-deaza-7-carbamoyl-adenosine

CAS Number	1207518-71-5
PubChem CID	44633774
IUPAC Name	[(2R,3R,4R,5R)-5-(4-amino-5-carbamoylpyrrolo[2,3-d]pyrimidin-7-yl)-4-ethynyl-4-hydroxy-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Formula	C22H27N5O7
Molecular Weight	473.5
XLogP	0.1
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	34
Formal Charge	0
Complexity	858

SMILES

CC(C)C(=O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C(=O)N)(C#C)O)OC(=O)C(C)C

InChI

InChI=1S/C22H27N5O7/c1-6-22(31)15(34-20(30)11(4)5)13(8-32-19(29)10(2)3)33-21(22)27-7-12(17(24)28)14-16(23)25-9-26-18(14)27/h1,7,9-11,13,15,21,31H,8H2,2-5H3,(H2,24,28)(H2,23,25,26)/t13-,15-,21-,22-/m1/s1

InChIKey

XEXIBCFENAZVIS-RHKYQUECSA-N

Chemical Structure

2D Structure

CAS: 1207518-71-5

CID: 44633774

Formula: C22H27N5O7

MW: 473.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	473.5
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	473.19104822
Monoisotopic Mass	473.19104822
Topological Polar Surface Area	182 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	858
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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NITD-203

Chemical Information

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