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

C7H15NO5 — CID 13472020

IUPAC(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7-/m0/s1
InChIKeyCGHLMFMBMIQDFZ-FHKSGDNWSA-N
MW193.20 g/mol
LogP-3.21
Rot. Bonds2

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

(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 13472020) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID13472020
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7-/m0/s1
InChIKeyCGHLMFMBMIQDFZ-FHKSGDNWSA-N
XLogP-3.21
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70695223
(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66883765
(2R,3S,4R,5S,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10822200
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 13472020) is (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is NC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CGHLMFMBMIQDFZ-FHKSGDNWSA-N. The full InChI is InChI=1S/C7H15NO5/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -3.21, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 13472020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).