Nucleoside-Analog-1

CAT: 0607-BA1886-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1886-2Size:2 mg

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CAS Number

876707-99-2

Form

A solid

Molecular Formula

C9H9N5O5

Molecular Weight

267.20

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

6H-Furo[2',3'

CAS Number	876707-99-2
PubChem CID	25189338
IUPAC Name	(2R,4R,5S,6S)-4-azido-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
Molecular Formula	C9H9N5O5
Molecular Weight	267.20
XLogP	-0.4
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	541

SMILES

C1=CN2[C@H]3[C@H]([C@@H]([C@](O3)(CO)N=[N+]=[N-])O)OC2=NC1=O

InChI

InChI=1S/C9H9N5O5/c10-13-12-9(3-15)6(17)5-7(19-9)14-2-1-4(16)11-8(14)18-5/h1-2,5-7,15,17H,3H2/t5-,6-,7+,9+/m0/s1

InChIKey

HXIRTOCBJXONPW-XZMZPDFPSA-N

Chemical Structure

2D Structure

CAS: 876707-99-2

CID: 25189338

Formula: C9H9N5O5

MW: 267.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.20
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	267.06036840
Monoisotopic Mass	267.06036840
Topological Polar Surface Area	106 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	541
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes