CAS 262615-98-5 | 3,4-Piperidinediol, 6-ethyl-2-(hydroxymethyl)-, (2R,3S,4S,6R)- | CAS Number 262615-98-5

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262615-98-5 | 3,4-Piperidinediol, 6-ethyl-2-(hydroxymethyl)-, (2R,3S,4S,6R)-

CAS No: 262615-98-5 Catalog No: AG002SIG MDL No:

Product Description

Catalog Number:

AG002SIG

Chemical Name:

3,4-Piperidinediol, 6-ethyl-2-(hydroxymethyl)-, (2R,3S,4S,6R)-

CAS Number:

262615-98-5

Molecular Formula:

C8H17NO3

Molecular Weight:

175.2255

IUPAC Name:

(2R,3S,4S,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol

InChI:

InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1

InChI Key:

QWEWPBRDYZVGBR-NGJRWZKOSA-N

SMILES:

CC[C@@H]1C[C@H](O)[C@H]([C@H](N1)CO)O

Properties

Complexity:

142

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.228g/mol

Monoisotopic Mass:

175.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Flexible synthesis and biological evaluation of novel 5-deoxyadenophorine analogues.	Bioorganic & medicinal chemistry letters 20060615
First total synthesis of 1-O-beta-D-glucopyranosyl-5-deoxyadenophorine and its aglycon congener: determination of the absolute configuration.	The Journal of organic chemistry 20040305