Calcium Green BAPTA-2 AM

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Calcium Green BAPTA-2 AM

Calcium Green BAPTA-2 AM

Catalog Number A14-0096
Category Calcium, Chloride Indictors and Other indicators
Molecular Formula C84H66Cl4N4O34
Molecular Weight 1817.25
Catalog Number Size Price Quantity
A14-0096 -- $--

Product Introduction

Calcium Green BAPTA-2 AM is a fluorescent calcium indicator.

Chemical Information

IUPAC Name acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-[(3',6'-diacetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]phenoxy]ethoxy]-4-[(3',6'-diacetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]anilino]acetate
Canonical SMILES CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C4(C5=CC(=C(C=C5OC6=CC(=C(C=C64)Cl)OC(=O)C)OC(=O)C)Cl)OC3=O)OCCOC7=C(C=CC(=C7)NC(=O)C8=CC9=C(C=C8)C1(C2=CC(=C(C=C2OC2=CC(=C(C=C21)Cl)OC(=O)C)OC(=O)C)Cl)OC9=O)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChI InChI=1S/C84H66Cl4N4O34/c1-39(93)111-35-115-75(101)31-91(32-76(102)116-36-112-40(2)94)63-15-11-49(89-79(105)47-9-13-53-51(19-47)81(107)125-83(53)55-23-59(85)69(119-43(5)97)27-65(55)123-66-28-70(120-44(6)98)60(86)24-56(66)83)21-73(63)109-17-18-110-74-22-50(12-16-64(74)92(33-77(103)117-37-113-41(3)95)34-78(104)118-38-114-42(4)96)90-80(106)48-10-14-54-52(20-48)82(108)126-84(54)57-25-61(87)71(121-45(7)99)29-67(57)124-68-30-72(122-46(8)100)62(88)26-58(68)84/h9-16,19-30H,17-18,31-38H2,1-8H3,(H,89,105)(H,90,106)
InChI Key RGPPEFZGTIEWSE-UHFFFAOYSA-N
Appearance Solid Powder
  • Product Specification
Excitation 590
Emission ~620

Computed Properties

XLogP3 11
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 36
Rotatable Bond Count 43
Exact Mass 1816.228306 g/mol
Monoisotopic Mass 1814.231256 g/mol
Topological Polar Surface Area 470Ų
Heavy Atom Count 126
Formal Charge 0
Complexity 3630
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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