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6-FAM-dC-puromycin

CAT: 0013-GTR19207156Size: 100 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19207156Size:100 µL
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Description
6-FAM-dC-puromycin
CAS Number
436083-76-0
Concentration
0.10 mM-0.11 mM
Purity
≥ 95% (HPLC)
Form
Solution in water; Color: yellow; pH: 7.5 ± 0.5
Smiles
[C@@H]1 (C[C@@H] (O[C@@H]1COP (=O) (OCCCCCCNC (=O) c1ccc (c (c1) c1c2ccc (=O) cc2oc2c1ccc (O) c2) C (=O) O) O) n1c (=O) nc (cc1) N) OP (=O) (O) OC[C@@H]1[C@H] ([C@H] ([C@@H] (O1) n1c2ncnc (c2nc1) N (C) C) O) NC (=O) [C@H] (Cc1ccc (cc1) OC) N
Molecular Formula
C58H65N11O20P2
Molecular Weight
Theoretical MW: 1298.15 g/mol (free acid) ; Detected MW: 1297.39 g/mol (free acid)
Storage Conditions
Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λexc 499 nm, λem 517 nm, ε 83.0 L mmol-1 cm-1 (Tris-HCl pH 9.0) .

Chemical Information

4-[6-[[(2R,3S,5R)-3-[[(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
CAS Number436083-76-0
PubChem CID176417947
IUPAC Name4-[6-[[(2R,3S,5R)-3-[[(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Molecular FormulaC58H65N11O20P2
Molecular Weight1298.1
XLogP-2.8
Topological Polar Surface Area433
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count25
Rotatable Bond Count27
Heavy Atom Count91
Formal Charge0
Complexity2900
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)C5=CC(=C(C=C5)C(=O)O)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)N9C=CC(=NC9=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OC)N)O
InChI
InChI=1S/C58H65N11O20P2/c1-67(2)52-50-53(63-29-62-52)69(30-64-50)56-51(72)49(66-55(74)40(59)22-31-8-13-35(82-3)14-9-31)45(88-56)28-85-91(80,81)89-43-26-47(68-20-18-46(60)65-58(68)77)87-44(43)27-84-90(78,79)83-21-7-5-4-6-19-61-54(73)32-10-15-36(57(75)76)39(23-32)48-37-16-11-33(70)24-41(37)86-42-25-34(71)12-17-38(42)48/h8-18,20,23-25,29-30,40,43-45,47,49,51,56,70,72H,4-7,19,21-22,26-28,59H2,1-3H3,(H,61,73)(H,66,74)(H,75,76)(H,78,79)(H,80,81)(H2,60,65,77)/t40-,43-,44+,45+,47+,49+,51+,56+/m0/s1
InChIKey
BATGFZBPHLXEHE-JTKVJWSFSA-N
Chemical Structure
2D Structure
2D structure of 4-[6-[[(2R,3S,5R)-3-[[(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
CAS: 436083-76-0
CID: 176417947
Formula: C58H65N11O20P2
MW: 1298.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1298.1
XLogP3-2.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count25
Rotatable Bond Count27
Exact Mass1297.38825750
Monoisotopic Mass1297.38825750
Topological Polar Surface Area433 Ų
Heavy Atom Count91
Formal Charge0
Complexity2900
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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