DBCO-Sulfo-Link-biotin

CAT: 0607-BA2511-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2511-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1363444-70-5

Form

A solid

Molecular Formula

C31H35N5O7S2

Molecular Weight

653.77

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

DBCO-Sulfo-Link-Biotin

CAS Number	1363444-70-5
PubChem CID	77078146
IUPAC Name	3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-1-oxopropane-2-sulfonic acid
Molecular Formula	C31H35N5O7S2
Molecular Weight	653.8
XLogP	0.9
Topological Polar Surface Area	208
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	45
Formal Charge	0
Complexity	1290

SMILES

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

InChI

InChI=1S/C31H35N5O7S2/c37-27(12-6-5-11-25-29-23(19-44-25)34-31(40)35-29)33-17-26(45(41,42)43)30(39)32-16-15-28(38)36-18-22-9-2-1-7-20(22)13-14-21-8-3-4-10-24(21)36/h1-4,7-10,23,25-26,29H,5-6,11-12,15-19H2,(H,32,39)(H,33,37)(H2,34,35,40)(H,41,42,43)/t23-,25-,26?,29-/m0/s1

InChIKey

XDEWKDCHVSWNBX-MXGHRJRVSA-N

Chemical Structure

2D Structure

CAS: 1363444-70-5

CID: 77078146

Formula: C31H35N5O7S2

MW: 653.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	653.8
XLogP3	0.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	653.19779082
Monoisotopic Mass	653.19779082
Topological Polar Surface Area	208 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1290
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DBCO-Sulfo-Link-biotin

Chemical Information

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