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TNP-GTP, S pack

CAT: 1106-JBS-NU-220SSize: 1 μmoLDry Ice: NoHazardous: No
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CAT#:1106-JBS-NU-220SSize:1 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
612837-26-0
Product Name Alternative
2′,3′-O-Trinitrophenyl-guanosine-5′-triphosphate, Triethylammonium salt
Certification
RUO
Type
Modified nucleotides
Purity
≥ 95 % (HPLC)
Molecular Formula
C 16 H 17 N 8 O 20 P 3
Molecular Weight
734.27
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Orange solid

Chemical Information

(3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-N-hydroxy-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide
CAS Number612837-26-0
PubChem CID137159998
IUPAC Name(3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-N-hydroxy-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide
Molecular FormulaC16H17N8O20P3
Molecular Weight734.3
XLogP-6.6
Topological Polar Surface Area413
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count22
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1630
SMILES
C1=C(C2(C(=CC1=[N+](O)[O-])[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-]
InChI
InChI=1S/C16H17N8O20P3/c17-15-19-12-9(13(25)20-15)18-4-21(12)14-11-10(6(40-14)3-39-46(35,36)44-47(37,38)43-45(32,33)34)41-16(42-11)7(23(28)29)1-5(22(26)27)2-8(16)24(30)31/h1-2,4,6,10-11,14H,3H2,(H,26,27)(H,35,36)(H,37,38)(H2,32,33,34)(H3,17,19,20,25)/t6-,10-,11-,14-/m1/s1
InChIKey
MXVVQVRAXTWLTR-UISLRAPISA-N
Chemical Structure
2D Structure
2D structure of (3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-N-hydroxy-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide
CAS: 612837-26-0
CID: 137159998
Formula: C16H17N8O20P3
MW: 734.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.3
XLogP3-6.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count22
Rotatable Bond Count8
Exact Mass733.97719595
Monoisotopic Mass733.97719595
Topological Polar Surface Area413 Ų
Heavy Atom Count47
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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