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16:0 CDP DG ammonium

CAT: 0013-GTR19268779-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268779-01Size:10 mg
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Description
16:0 CDP DG ammonium is a type of lipid nucleotide.
CAS Number
384835-55-6
Smiles
[O-][C@H]1[C@H] (N2C (N=C (C=C2) N) =O) O[C@@H] ([C@H]1[O-]) COP (OP (OC[C@@H] (COC (CCCCCCCCCCCCCCC) =O) OC (CCCCCCCCCCCCCCC) =O) (O) =O) (O) =O.[NH4+].[NH4+]
Molecular Formula
C44H87N5O15P2
Molecular Weight
988.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-Dipalmitoyl-sn-glycero-3-(cytidine diphosphate) (ammonium salt)
CAS Number384835-55-6
PubChem CID75250422
IUPAC Namediazanium;[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2,3-di(hexadecanoyloxy)propyl phosphate
Molecular FormulaC44H87N5O15P2
Molecular Weight988.1
Topological Polar Surface Area271
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count42
Heavy Atom Count66
Formal Charge0
Complexity1450
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC.[NH4+].[NH4+]
InChI
InChI=1S/C44H81N3O15P2.2H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52;;/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52);2*1H3
InChIKey
IAUUMXARBJMHDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dipalmitoyl-sn-glycero-3-(cytidine diphosphate) (ammonium salt)
CAS: 384835-55-6
CID: 75250422
Formula: C44H87N5O15P2
MW: 988.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight988.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count42
Exact Mass987.56739108
Monoisotopic Mass987.56739108
Topological Polar Surface Area271 Ų
Heavy Atom Count66
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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