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Sulfo-Cy7.5 NHS ester

CAT: 0127-BIPG1919-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1919-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2736437-44-6
Purity
≥95%
Smiles
CC1 (C (=[N+] (C2=C1C3=C (C=C2) C (=CC (=C3) S (=O) (=O) O) S (=O) (=O) O) C) C=CC4=CC (=CC=C5C (C6=C (N5CCCCCC (=O) ON7C (=O) CCC7=O) C=CC8=C6C=C (C=C8S (=O) (=O) [O-]) S (=O) (=O) [O-]) (C) C) CCC4) C.[K+]

Chemical Information

Sulfo-Cy7.5 NHS ester
CAS Number2736437-44-6
PubChem CID165412495
IUPAC Namepotassium (2Z)-3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-2-[(2Z)-2-[3-[(E)-2-(1,1,3-trimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole-6,8-disulfonate
Molecular FormulaC49H50KN3O16S4
Molecular Weight1104.3
Topological Polar Surface Area327
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Heavy Atom Count73
Formal Charge0
Complexity2790
SMILES
CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C)/C=C/C4=C/C(=C\C=C/5\C(C6=C(N5CCCCCC(=O)ON7C(=O)CCC7=O)C=CC8=C6C=C(C=C8S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)/CCC4)C.[K+]
InChI
InChI=1S/C49H51N3O16S4.K/c1-48(2)41(50(5)37-17-15-33-35(46(37)48)25-31(69(56,57)58)27-39(33)71(62,63)64)19-13-29-10-9-11-30(24-29)14-20-42-49(3,4)47-36-26-32(70(59,60)61)28-40(72(65,66)67)34(36)16-18-38(47)51(42)23-8-6-7-12-45(55)68-52-43(53)21-22-44(52)54;/h13-20,24-28H,6-12,21-23H2,1-5H3,(H3-,56,57,58,59,60,61,62,63,64,65,66,67);/q;+1/p-1
InChIKey
HDBJLDCQQJVKRA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sulfo-Cy7.5 NHS ester
CAS: 2736437-44-6
CID: 165412495
Formula: C49H50KN3O16S4
MW: 1104.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1104.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Exact Mass1103.17109869
Monoisotopic Mass1103.17109869
Topological Polar Surface Area327 Ų
Heavy Atom Count73
Formal Charge0
Complexity2790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19289013-01Sulfo-Cy7.5 NHS ester
CHM-225-1mgSulfo-Cy7.5, NHS Ester
T200370-01Sulfo-Cy7.5 NHS ester tripotassium
HY-D1568A-01Sulfo-Cy7.5 NHS ester (tripotassium)
CHM-219-1mgSulfo-Cy7, NHS Ester
GTR19288577-01Sulfo Cy7 bis-NHS ester
CHM-223-1mgSulfo-Cy7 diacid, NHS Ester
558789Sulfo-Cyanine 5 NHS Ester
CHM-05096-1mgSulfo-Cy5.5 NHS Ester
GTR19178110-01Sulfo-Cy 5 NHS Ester

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