HCV-IN-31

CAT: 0607-BA1878-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1878-5Size:5 mg

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CAS Number

1998705-62-6

Form

A solid

Molecular Formula

C12H17FN6O3

Molecular Weight

312.30

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Hcv-IN-31

CAS Number	1998705-62-6
PubChem CID	122510185
IUPAC Name	(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
Molecular Formula	C12H17FN6O3
Molecular Weight	312.30
XLogP	0.4
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	420

SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)NC)CO)O)F

InChI

InChI=1S/C12H17FN6O3/c1-12(13)7(21)5(3-20)22-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20-21H,3H2,1-2H3,(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1

InChIKey

HPINXBYYNVDDEB-GSWPYSDESA-N

Chemical Structure

2D Structure

CAS: 1998705-62-6

CID: 122510185

Formula: C12H17FN6O3

MW: 312.30

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	312.30
XLogP3	0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	312.13461659
Monoisotopic Mass	312.13461659
Topological Polar Surface Area	131 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	420
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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BA1888-50	HCV-IN-29
C8502-5	PACMA 31
BA8746-10	PI3K-IN-31
BA8712-5	MTI-31
B7462-5	SKA 31
C8502-1	PACMA 31

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Catalog	Name
T9577-01	HCV-IN-31
MBS320541-01	HCV
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228236	Interleukin-31 (IL-31)
P525242	HCV-NS3 Protein (N-GST, HCV)
P525241	HCV-E2 Protein (C-His, HCV)
P525240	HCV-E1 Protein (N-His, HCV)
hcv-005	HCV E2
hcv-255	HCV NS3
HY-128306	HCV-IN-50

HCV-IN-31

Chemical Information

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