T2AA

CAT: 0607-BA3993-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3993-10Size:10 mg

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

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CAS Number

1380782-27-3

Form

A solid

Molecular Formula

C15H15I2NO3

Molecular Weight

511.09

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol

CAS Number	1380782-27-3
PubChem CID	71185540
IUPAC Name	4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol
Molecular Formula	C15H15I2NO3
Molecular Weight	511.09
XLogP	3.1
Topological Polar Surface Area	75.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	301

SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@@H](CO)N)I

InChI

InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1

InChIKey

NKOSKXJRVWVXRI-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 1380782-27-3

CID: 71185540

Formula: C15H15I2NO3

MW: 511.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	511.09
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	510.91414
Monoisotopic Mass	510.91414
Topological Polar Surface Area	75.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes