DBCO-Biotin

CAT: 0127-BIPG2354-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2354-02Size:50 mg

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CAS Number

1418217-95-4

Purity

≥95%

Smiles

C1C2C (C (S1) CCCCC (=O) NCCC (=O) N3CC4=CC=CC=C4C#CC5=CC=CC=C53) NC (=O) N2

Chemical Information

DBCO-Biotin

CAS Number	1418217-95-4
PubChem CID	121235600
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]pentanamide
Molecular Formula	C28H30N4O3S
Molecular Weight	502.6
XLogP	2.7
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	898

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2

InChI

InChI=1S/C28H30N4O3S/c33-25(12-6-5-11-24-27-22(18-36-24)30-28(35)31-27)29-16-15-26(34)32-17-21-9-2-1-7-19(21)13-14-20-8-3-4-10-23(20)32/h1-4,7-10,22,24,27H,5-6,11-12,15-18H2,(H,29,33)(H2,30,31,35)/t22-,24-,27-/m0/s1

InChIKey

ODZDNKWGVJPVBP-DPPGTGKWSA-N

Chemical Structure

2D Structure

CAS: 1418217-95-4

CID: 121235600

Formula: C28H30N4O3S

MW: 502.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	502.6
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	502.20386201
Monoisotopic Mass	502.20386201
Topological Polar Surface Area	116 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	898
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-123916-01	DBCO-Biotin
T15069-01	DBCO-PEG4-Biotin
7480/10	DBCO PEG4 Biotin
CLK-A105P4-10	DBCO-PEG4-Biotin Conjugate
572044	WSPC Biotin-PEG3-DBCO
572039	Diazo Biotin-PEG3-DBCO
HE048041-1K	DBCO-PEG-Biotin, 1K
T18521-01	PC DBCO-PEG3-biotin
HE048041-600	DBCO-PEG-Biotin, 600
HE048041-200	DBCO-PEG-Biotin, 200

DBCO-Biotin

Chemical Information

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