5'-Biotin phosphoramidite

CAT: 0926-PB57507-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-PB57507-01Size:1 g

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CAS Number

135137-87-0

MDL Number

MFCD00797448

Smiles

CC (C) N (C (C) C) P (OCCCCCCNC (=O) CCCC[C@H]1[C@@H]2[C@H] (CS1) N (C (=O) N2) C (C3=CC=CC=C3) (C4=CC=C (C=C4) OC) C5=CC=C (C=C5) OC) OCCC#N

Molecular Formula

C46H64N5O6PS

Molecular Weight

846.07 g/mol

Controlled

Chemical Information

5'-Biotin Phosphoramidite

CAS Number	135137-87-0
PubChem CID	91668436
IUPAC Name	5-[(3aR,6S,6aS)-3-[bis(4-methoxyphenyl)-phenylmethyl]-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]-N-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]pentanamide
Molecular Formula	C46H64N5O6PS
Molecular Weight	846.1
XLogP	7.6
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	25
Heavy Atom Count	59
Formal Charge	0
Complexity	1270

SMILES

CC(C)N(C(C)C)P(OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OCCC#N

InChI

InChI=1S/C46H64N5O6PS/c1-34(2)51(35(3)4)58(57-32-16-29-47)56-31-15-8-7-14-30-48-43(52)20-13-12-19-42-44-41(33-59-42)50(45(53)49-44)46(36-17-10-9-11-18-36,37-21-25-39(54-5)26-22-37)38-23-27-40(55-6)28-24-38/h9-11,17-18,21-28,34-35,41-42,44H,7-8,12-16,19-20,30-33H2,1-6H3,(H,48,52)(H,49,53)/t41-,42-,44-,58?/m0/s1

InChIKey

RBXYKQBFPLXSJS-RYQQVEDISA-N

Chemical Structure

2D Structure

CAS: 135137-87-0

CID: 91668436

Formula: C46H64N5O6PS

MW: 846.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	846.1
XLogP3	7.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	25
Exact Mass	845.43149295
Monoisotopic Mass	845.43149295
Topological Polar Surface Area	151 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1270
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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Catalog	Name
M-2006-2	5'-Biotin phosphoramidite
62360	Biotin phosphoramidite (hydroxyprolinol), 5 g
558942	Biotin phosphoramidite
6221-AAT	Biotin-dT Phosphoramidite
M-2044-2	Biotin-TEG phosphoramidite
6026-AAT	6-HEX phosphoramidite [5'-Hexachlorofluorescein phosphoramidite]
BIMN2016	5'- (5-Fluorescein) phosphoramidite
6083-AAT	5-VIC phosphoramidite
HY-D2245	Cy5.5 phosphoramidite
BIMN2054	5-TET phosphoramidite

5'-Biotin phosphoramidite

Chemical Information

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