(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol

C8H16INO6 — CID 172553335

IUPAC(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol
SMILESCN(C)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1(O)I
InChIInChI=1S/C8H16INO6/c1-10(2)8(15)7(9,14)6(13)5(12)4(3-11)16-8/h4-6,11-15H,3H2,1-2H3/t4-,5-,6+,7+,8?/m1/s1
InChIKeyYNTPMUIJVZLFSZ-WZPXOXCRSA-N
MW349.12 g/mol
LogP-2.57
Rot. Bonds2

About (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol

(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol (PubChem CID 172553335) has the molecular formula C8H16INO6 and a molecular weight of 349.12 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol
PubChem CID172553335
Molecular FormulaC8H16INO6
Molecular Weight349.12 g/mol
Exact Mass349.00
IUPAC Name(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol
SMILESCN(C)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1(O)I
InChIInChI=1S/C8H16INO6/c1-10(2)8(15)7(9,14)6(13)5(12)4(3-11)16-8/h4-6,11-15H,3H2,1-2H3/t4-,5-,6+,7+,8?/m1/s1
InChIKeyYNTPMUIJVZLFSZ-WZPXOXCRSA-N
XLogP-2.57
TPSA113.62 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 5-2.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol (CID 172553335) is (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol is CN(C)C1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1(O)I.
What is the InChIKey of (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol?
The InChIKey is YNTPMUIJVZLFSZ-WZPXOXCRSA-N. The full InChI is InChI=1S/C8H16INO6/c1-10(2)8(15)7(9,14)6(13)5(12)4(3-11)16-8/h4-6,11-15H,3H2,1-2H3/t4-,5-,6+,7+,8?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol has a molecular weight of 349.12 g/mol, XLogP of -2.57, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)-3-iodooxane-2,3,4,5-tetrol is sourced from PubChem (CID 172553335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).