(2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol

C12H25NO6 — CID 70586397

IUPAC(2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNCCCCCCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C12H25NO6/c13-5-3-1-2-4-6-18-11-10(16)9(15)8(7-14)19-12(11)17/h8-12,14-17H,1-7,13H2/t8-,9-,10+,11+,12+/m1/s1
InChIKeyISEATNLTDZGEOX-GCHJQGSQSA-N
MW279.33 g/mol
LogP-1.68
Rot. Bonds8

About (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol

(2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 70586397) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID70586397
Molecular FormulaC12H25NO6
Molecular Weight279.33 g/mol
Exact Mass279.17
IUPAC Name(2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNCCCCCCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C12H25NO6/c13-5-3-1-2-4-6-18-11-10(16)9(15)8(7-14)19-12(11)17/h8-12,14-17H,1-7,13H2/t8-,9-,10+,11+,12+/m1/s1
InChIKeyISEATNLTDZGEOX-GCHJQGSQSA-N
XLogP-1.68
TPSA125.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 70586397) is (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol is NCCCCCCO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is ISEATNLTDZGEOX-GCHJQGSQSA-N. The full InChI is InChI=1S/C12H25NO6/c13-5-3-1-2-4-6-18-11-10(16)9(15)8(7-14)19-12(11)17/h8-12,14-17H,1-7,13H2/t8-,9-,10+,11+,12+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 279.33 g/mol, XLogP of -1.68, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-3-(6-aminohexoxy)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 70586397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).