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Cp2C /CppC

CAT: 1106-BLG-D127-005Size: 0.5 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-D127-005Size:0.5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29789-88-6
Product Name Alternative
P1, P2-Di- (cytidine-5′) -diphosphate . sodium salt
Certification
RUO
Purity
> 95% HPLC
Molecular Formula
C 18 H 26 N 6 O 15 P 2 (free acid)
Molecular Weight
628.4
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CAS Number29789-88-6
PubChem CID15755620
IUPAC Name[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular FormulaC18H26N6O15P2
Molecular Weight628.4
XLogP-7.6
Topological Polar Surface Area319
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity1180
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O)O)O
InChI
InChI=1S/C18H26N6O15P2/c19-9-1-3-23(17(29)21-9)15-13(27)11(25)7(37-15)5-35-40(31,32)39-41(33,34)36-6-8-12(26)14(28)16(38-8)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H2,19,21,29)(H2,20,22,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKey
FAEUSGDAGWUSHR-NCOIDOBVSA-N
Chemical Structure
2D Structure
2D structure of [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CAS: 29789-88-6
CID: 15755620
Formula: C18H26N6O15P2
MW: 628.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.4
XLogP3-7.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass628.09313814
Monoisotopic Mass628.09313814
Topological Polar Surface Area319 Ų
Heavy Atom Count41
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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