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Fluorescein-dUTP

CAT: 0024-sc-391125Size: 25 nmolDry Ice: NoHazardous: No
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CAT#:0024-sc-391125Size:25 nmol
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CAS Number
214154-36-6

Chemical Information

Fluorescein-12-dutp
CAS Number214154-36-6
PubChem CID75210752
IUPAC Name[[5-[5-[3-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexanoylamino]prop-1-enyl]-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC39H43N4O21P3
Molecular Weight996.7
XLogP-2
Topological Polar Surface Area373
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count21
Rotatable Bond Count18
Heavy Atom Count67
Formal Charge0
Complexity2020
SMILES
C1C(C(OC1N2CC(C(=O)NC2=O)C=CCNC(=O)CCCCCNC(=O)C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C39H43N4O21P3/c44-23-8-11-27-30(16-23)60-31-17-24(45)9-12-28(31)39(27)26-10-7-21(15-25(26)37(50)62-39)35(48)41-13-3-1-2-6-33(47)40-14-4-5-22-19-43(38(51)42-36(22)49)34-18-29(46)32(61-34)20-59-66(55,56)64-67(57,58)63-65(52,53)54/h4-5,7-12,15-17,22,29,32,34,44-46H,1-3,6,13-14,18-20H2,(H,40,47)(H,41,48)(H,55,56)(H,57,58)(H,42,49,51)(H2,52,53,54)
InChIKey
QTGRZULTMFHDJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorescein-12-dutp
CAS: 214154-36-6
CID: 75210752
Formula: C39H43N4O21P3
MW: 996.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight996.7
XLogP3-2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count21
Rotatable Bond Count18
Exact Mass996.16326539
Monoisotopic Mass996.16326539
Topological Polar Surface Area373 Ų
Heavy Atom Count67
Formal Charge0
Complexity2020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes