chempirical

Biotin peg2 amine

C16H30N4O4SCAS 138529-46-1374.50 g/mol

Open in Covalent MOL file
H2NOONHOSNHOHN
EtherPrimary amineSulfide

Properties

Molecular formula
C16H30N4O4S
Molar mass
374.50 g/mol
Exact mass
374.1988 Da
Melting point
109–110 °C
logP
0.86Crippen estimate
Polar surface area
121.7 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
13
Stereocentres
S, R, Sin SMILES atom order

Identifiers

CAS number
138529-46-1
SMILES
NCCOCCOCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21
InChIKey
LWISPDYGRSGXME-YDHLFZDLSA-N
InChI
InChI=1S/C16H30N4O4S/c17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22)/t12-,13-,15-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-
  • (3aS,4S,6aR)-N-[2-[2-(2-Aminoethoxy)ethoxy]ethyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
  • Biotinyl-3,6-dioxaoctanediamine
  • Biotin-DADOO
  • EZ-link amine-PEO2-biotin
  • (+)-Biotinyl-3,6-dioxaoctanediamine

Work with Biotin peg2 amine

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

(3As,4S,6ar)-N-[2-(2-aminoethoxy)ethyl]hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanamide811442-85-098 % similar Biocytin576-19-263 % similar Biotin hydrazide66640-86-663 % similar 6-[[5-[(3As,4S,6ar)-hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid72040-64-362 % similar Nhs-lc-biotin72040-63-261 % similar Biotin22879-79-453 % similar Biotin58-85-553 % similar Biotin N-hydroxysuccinimide ester35013-72-052 % similar

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

Elsewhere

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