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BP Fluor 488 Cadaverine

CAT: 0127-BIPG1923-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1923-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1178534-61-6
Purity
95%
Smiles
C1=CC (=C (C=C1C (=O) NCCCCCN) C (=O) O) C2=C3C=CC (=[NH2+]) C (=C3OC4=C2C=CC (=C4S (=O) (=O) [O-]) N) S (=O) (=O) O

Chemical Information

3,6-Diamino-9-(4-((5-aminopentyl)carbamoyl)-2-carboxyphenyl)-5-sulfoxanthylium-4-sulfonate
CAS Number1178534-61-6
PubChem CID172639465
IUPAC Name3-amino-9-[4-(5-aminopentylcarbamoyl)-2-carboxyphenyl]-6-azaniumylidene-5-sulfoxanthene-4-sulfonate
Molecular FormulaC26H26N4O10S2
Molecular Weight618.6
XLogP-2.5
Topological Polar Surface Area282
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity1410
SMILES
C1=CC(=C(C=C1C(=O)NCCCCCN)C(=O)O)C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4S(=O)(=O)[O-])N)S(=O)(=O)O
InChI
InChI=1S/C26H26N4O10S2/c27-10-2-1-3-11-30-25(31)13-4-5-14(17(12-13)26(32)33)20-15-6-8-18(28)23(41(34,35)36)21(15)40-22-16(20)7-9-19(29)24(22)42(37,38)39/h4-9,12,28H,1-3,10-11,27,29H2,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)
InChIKey
OSIQPWFZHGILPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Diamino-9-(4-((5-aminopentyl)carbamoyl)-2-carboxyphenyl)-5-sulfoxanthylium-4-sulfonate
CAS: 1178534-61-6
CID: 172639465
Formula: C26H26N4O10S2
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP3-2.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass618.10903539
Monoisotopic Mass618.10903539
Topological Polar Surface Area282 Ų
Heavy Atom Count42
Formal Charge0
Complexity1410
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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