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

C6H14ClNO5 — CID 70543621

IUPAC(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride
SMILESCl.N[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO
InChIInChI=1S/C6H13NO5.ClH/c7-3-2(1-8)12-6(11)5(10)4(3)9;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6?;/m1./s1
InChIKeyGCALFLVIFBVVOH-BMZZJELJSA-N
MW215.63 g/mol
LogP-2.83
Rot. Bonds1

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

(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride (PubChem CID 70543621) has the molecular formula C6H14ClNO5 and a molecular weight of 215.63 g/mol. Its IUPAC name is (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride.

Molecular Properties

Compound Name(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride
PubChem CID70543621
Molecular FormulaC6H14ClNO5
Molecular Weight215.63 g/mol
Exact Mass215.06
IUPAC Name(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride
SMILESCl.N[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO
InChIInChI=1S/C6H13NO5.ClH/c7-3-2(1-8)12-6(11)5(10)4(3)9;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6?;/m1./s1
InChIKeyGCALFLVIFBVVOH-BMZZJELJSA-N
XLogP-2.83
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride?
The IUPAC name of (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride (CID 70543621) is (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride.
What is the SMILES notation for (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride?
The canonical SMILES for (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride is Cl.N[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO.
What is the InChIKey of (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride?
The InChIKey is GCALFLVIFBVVOH-BMZZJELJSA-N. The full InChI is InChI=1S/C6H13NO5.ClH/c7-3-2(1-8)12-6(11)5(10)4(3)9;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6?;/m1./s1.
What are the key properties of (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride?
(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride has a molecular weight of 215.63 g/mol, XLogP of -2.83, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride is sourced from PubChem (CID 70543621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).