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Hirudonucleodisulfide A

CAT: 0804-HY-N9998Size: 1 EachDry Ice: NoHazardous: No
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Description
Hirudonucleodisulfide A is a heterocyclic compound that can be found in Whitmania pigra. Hirudonucleodisulfide A shows moderately anti-anoxic activity[1].
CAS Number
1072789-37-7
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hirudonucleodisulfide-a.html
Solubility
10 mM in DMSO
Smiles
O=C1N=C2NC3=C(N=C2C(N1)=O)C(SC)=C(C(O)=O)S3
Molecular Formula
C10H6N4O4S2
Molecular Weight
310.31
References & Citations
[1]Zheng YF, et, al. Structures of two novel heterocyclics from Whitmania pigra. Planta Med. 2008 Apr;74 (5) :562-4.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hirudonucleodisulfide A
CAS Number1072789-37-7
PubChem CID42614049
IUPAC Name6-methylsulfanyl-2,4-dioxo-1H-thieno[3,2-g]pteridine-7-carboxylic acid
Molecular FormulaC10H6N4O4S2
Molecular Weight310.3
XLogP0.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity476
SMILES
CSC1=C(SC2=C1N=C3C(=N2)NC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C10H6N4O4S2/c1-19-4-2-8(20-5(4)9(16)17)12-6-3(11-2)7(15)14-10(18)13-6/h1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKey
RXUMDCKGBHBMTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hirudonucleodisulfide A
CAS: 1072789-37-7
CID: 42614049
Formula: C10H6N4O4S2
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass309.98304703
Monoisotopic Mass309.98304703
Topological Polar Surface Area175 Ų
Heavy Atom Count20
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2745Hirudonucleodisulfide A
GTR19178229Hirudonucleodisulfide B
RG-A261616-01Hirudonucleodisulfide C

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