NHS-LC-Biotin

C20H30N4O6SCAS 72040-63-2454.54 g/mol

Open in Covalent MOL file
ONHOSNHOHNONOO
AmideLactamSulfide

Properties

Molecular formula
C20H30N4O6S
Molar mass
454.54 g/mol
Exact mass
454.1886 Da
logP
2.04Crippen estimate
Polar surface area
140.9 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
12
Stereocentres
S, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
72040-63-2
SMILES
O=C(CCCCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)ON1C(=O)CCC1=O
InChIKey
UVGHPGOONBRLCX-NJSLBKSFSA-N
InChI
InChI=1S/C20H30N4O6S/c25-15(7-4-3-6-14-19-13(12-31-14)22-20(29)23-19)21-11-5-1-2-8-18(28)30-24-16(26)9-10-17(24)27/h13-14,19H,1-12H2,(H,21,25)(H2,22,23,29)/t13-,14-,19-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, 2,5-dioxo-1-pyrrolidinyl ester
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
  • N-Hydroxysuccinimidyl 6-(biotinamido)hexanoate
  • N-Hydroxysuccinimidyl biotinamidocaproate
  • N-[5-(Succinimidyloxycarbonyl)pentyl]biotin amide
  • Succinimidyl-6-(biotinamido) hexanoate
  • D-(+)-Biotinyl-ε-aminocaproic acid N-hydroxysuccimide ester
  • B 1582
  • 6-[(Biotinyl)amino]hexanoic acid N-hydroxysuccinimide ester
  • 5-(N-Succinimidyloxycarbonyl)pentyl d-biotinamide
  • EZ-link NHS-LC-biotin
  • Biotin-LC-NHS
  • Biotin-X, SE
  • Biotinamidocaproate N-hydroxysuccinimide ester
  • Enzotin

Work with NHS-LC-Biotin

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

Biotin N-hydroxysuccinimide ester35013-72-082 % similar 6-[5-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-yl)-pentanoylamino]-hexanoic acid72040-64-372 % similar Biotinamidocaproyl hydrazide109276-34-867 % similar Biocytin576-19-265 % similar Biotin-PEG1-NH2811442-85-062 % similar Biotin peg2 amine138529-46-161 % similar Biotin hydrazide66640-86-656 % similar Biotin22879-79-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook