chempirical

Bissulfosuccinimidyl suberate

C16H20N2O14S2CAS 82436-77-9528.46 g/mol

Open in Covalent MOL file
OOONOSOOOHOONOSOOOHO
AmideLactamSulfonic acid

Properties

Molecular formula
C16H20N2O14S2
Molar mass
528.46 g/mol
Exact mass
528.0356 Da
logP
-1.73Crippen estimate
Polar surface area
236.1 Ų
H-bond donors / acceptors
2 / 12
Rotatable bonds
11

Identifiers

CAS number
82436-77-9
SMILES
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O
InChIKey
VYLDEYYOISNGST-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N2O14S2/c19-11-7-9(33(25,26)27)15(23)17(11)31-13(21)5-3-1-2-4-6-14(22)32-18-12(20)8-10(16(18)24)34(28,29)30/h9-10H,1-8H2,(H,25,26,27)(H,28,29,30)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Octanedioic acid, 1,8-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl) ester
  • 3-Pyrrolidinesulfonic acid, 1,1′-[(1,8-dioxo-1,8-octanediyl)bis(oxy)]bis[2,5-dioxo-
  • Bis(sulfosuccinimidyl) suberate
  • Di(sulfosuccinimidyl) suberate
  • Suberic acid bis(3-sulfo-N-hydroxysuccinimide ester)

Work with Bissulfosuccinimidyl suberate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disuccinimidyl suberate68528-80-349 % similar Disuccinimidyl glutarate79642-50-544 % similar Stearic acid N-hydroxysuccinimide ester14464-32-542 % similar Tetradecanoic acid N-hydroxysuccinimide ester69888-86-442 % similar N-(6-Maleimidocaproyloxy)succinimide55750-63-538 % similar Bis-pe21- nhs ester1008402-79-633 % similar 3,3′-Dithiobis(succinimidyl propionate)57757-57-033 % similar Biotin N-hydroxysuccinimide ester35013-72-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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