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Indo-1 AM 5mg

CAT: 0628-A19680-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19680-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112926-02-0

Chemical Information

(Acetyloxy)methyl 2-(4-(bis(2-((acetyloxy)methoxy)-2-oxoethyl)amino)-3-(2-(2-(bis(2-((acetyloxy)methoxy)-2-oxoethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-1H-indole-6-carboxylate

calcium-specific chelating agent; calcium ion fluorescent probe

CAS Number112926-02-0
PubChem CID123918
IUPAC Nameacetyloxymethyl 2-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylate
Molecular FormulaC47H51N3O22
Molecular Weight1009.9
XLogP5.4
Topological Polar Surface Area304
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count24
Rotatable Bond Count37
Heavy Atom Count72
Formal Charge0
Complexity1800
SMILES
CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C3=CC4=C(N3)C=C(C=C4)C(=O)OCOC(=O)C)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChI
InChI=1S/C47H51N3O22/c1-28-7-11-39(49(19-43(56)68-23-63-29(2)51)20-44(57)69-24-64-30(3)52)41(15-28)61-13-14-62-42-18-35(37-16-34-8-9-36(17-38(34)48-37)47(60)72-27-67-33(6)55)10-12-40(42)50(21-45(58)70-25-65-31(4)53)22-46(59)71-26-66-32(5)54/h7-12,15-18,48H,13-14,19-27H2,1-6H3
InChIKey
CAWBRCOBJNWRLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Acetyloxy)methyl 2-(4-(bis(2-((acetyloxy)methoxy)-2-oxoethyl)amino)-3-(2-(2-(bis(2-((acetyloxy)methoxy)-2-oxoethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-1H-indole-6-carboxylate
CAS: 112926-02-0
CID: 123918
Formula: C47H51N3O22
MW: 1009.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1009.9
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count24
Rotatable Bond Count37
Exact Mass1009.29642026
Monoisotopic Mass1009.29642026
Topological Polar Surface Area304 Ų
Heavy Atom Count72
Formal Charge0
Complexity1800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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