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Biotin-dC-puromycin, S pack

CAT: 1106-JBS-NU-925-BIO-SSize: 100 µLDry Ice: NoHazardous: No
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CAT#:1106-JBS-NU-925-BIO-SSize:100 µL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
436083-86-2
Certification
RUO
Type
Modified nucleotides
Purity
≥ 95 % (HPLC)
Molecular Formula
C 47 H 69 N 13 O 16 P 2 S (free acid)
Molecular Weight
1166.14 (free acid)
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Colorless to slightly yellow solution
Formulation
Solution in water

Chemical Information

[(2R,3S,5R)-2-[[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexoxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] [(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CAS Number436083-86-2
PubChem CID176417946
IUPAC Name[(2R,3S,5R)-2-[[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexoxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] [(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular FormulaC47H69N13O16P2S
Molecular Weight1166.1
XLogP-4.5
Topological Polar Surface Area416
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count29
Heavy Atom Count79
Formal Charge0
Complexity2240
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)OCCCCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)N7C=CC(=NC7=O)N)NC(=O)[C@H](CC8=CC=C(C=C8)OC)N)O
InChI
InChI=1S/C47H69N13O16P2S/c1-58(2)42-40-43(52-25-51-42)60(26-53-40)45-41(62)39(56-44(63)29(48)20-27-12-14-28(70-3)15-13-27)33(75-45)23-73-78(68,69)76-31-21-37(59-18-16-35(49)55-47(59)65)74-32(31)22-72-77(66,67)71-19-9-5-4-8-17-50-36(61)11-7-6-10-34-38-30(24-79-34)54-46(64)57-38/h12-16,18,25-26,29-34,37-39,41,45,62H,4-11,17,19-24,48H2,1-3H3,(H,50,61)(H,56,63)(H,66,67)(H,68,69)(H2,49,55,65)(H2,54,57,64)/t29-,30-,31-,32+,33+,34-,37+,38-,39+,41+,45+/m0/s1
InChIKey
LAXHBAUMAYCFTM-VEZTZHIVSA-N
Chemical Structure
2D Structure
2D structure of [(2R,3S,5R)-2-[[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexoxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] [(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CAS: 436083-86-2
CID: 176417946
Formula: C47H69N13O16P2S
MW: 1166.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1166.1
XLogP3-4.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count29
Exact Mass1165.41811833
Monoisotopic Mass1165.41811833
Topological Polar Surface Area416 Ų
Heavy Atom Count79
Formal Charge0
Complexity2240
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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