(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene

C13H21NO5 — CID 174810204

IUPAC(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene
SMILESCc1ccccc1.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H8.C6H13NO5/c1-7-5-3-2-4-6-7;7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6H,1H3;2-6,8-11H,1,7H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyIHSZYJAHCOYQGQ-MSPHXDAXSA-N
MW271.31 g/mol
LogP-1.26
Rot. Bonds1

About (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene

(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene (PubChem CID 174810204) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene
PubChem CID174810204
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene
SMILESCc1ccccc1.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H8.C6H13NO5/c1-7-5-3-2-4-6-7;7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6H,1H3;2-6,8-11H,1,7H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyIHSZYJAHCOYQGQ-MSPHXDAXSA-N
XLogP-1.26
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
CID 66583672
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
CID 158492783

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene?
The IUPAC name of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene (CID 174810204) is (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene.
What is the SMILES notation for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene?
The canonical SMILES for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene is Cc1ccccc1.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene?
The InChIKey is IHSZYJAHCOYQGQ-MSPHXDAXSA-N. The full InChI is InChI=1S/C7H8.C6H13NO5/c1-7-5-3-2-4-6-7;7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6H,1H3;2-6,8-11H,1,7H2/t;2-,3-,4+,5-,6?/m.1/s1.
What are the key properties of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene?
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene has a molecular weight of 271.31 g/mol, XLogP of -1.26, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;toluene is sourced from PubChem (CID 174810204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).