My ChemCD

6252-57-9
SIRIUS SUPRA BLUE

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

SIRIUS SUPRA BLUE

Formula

C46 H27 N7 O14 S4 . 4 Na

MolWeight

1121.98

CCD No.

CCD00051293

CAS

6252-57-9

MDL

MFCD00081184

1Identification

【Name】

SIRIUS SUPRA BLUE

【CAS】

6252-57-9

【MDL】

MFCD00081184

【English Synonyms】

SIRIUS SUPRA BLUE BL

SIRIUS SUPRA BLUE

【Formula】

C46 H27 N7 O14 S4 . 4 Na

【MolWeight】

1121.98

【Inchi】

InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-48+,52-50+,53-51+;;;;

【InChIKey】

InChIKey=KQZDRGKMSIEFDF-MJFZQJADSA-J

【SMILES】

c1ccc(cc1)Nc2ccc3c(c2)cc(c(c3O)/N=N/c4ccc(c5c4cc(cc5)S(=O)(=O)[O-])/N=N/c6ccc(c7c6cccc7)/N=N/c8cc(cc9c8c(cc(c9)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

【MOL File】

SIRIUS SUPRA BLUE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:21

XLogP3:8.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

SIRIUS SUPRA BLUE.cml

Quick Release

TOP Suppliers

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ACC Corporation
Catalog No:DYE0000827 5MG
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Pfaltz & Bauer, Inc.
Catalog No:S03698 25G
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Alfa Chemistry
Catalog No:ATM6252579 up to kgs
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BOC Sciences
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Business Type:Trading Company
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More 6252-57-9 Suppliers>>

6252-57-9 SIRIUS SUPRA BLUE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

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6252-57-9
SIRIUS SUPRA BLUE