(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane

C9H22N2O3 — CID 160993884

IUPAC(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane
SMILESC.NCC[C@H]1O[C@H](CCN)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H18N2O3.CH4/c9-3-1-5-7(11)8(12)6(13-5)2-4-10;/h5-8,11-12H,1-4,9-10H2;1H4/t5-,6-,7-,8-;/m1./s1
InChIKeyTUZIHGDEOREQRE-XNJRRJNCSA-N
MW206.29 g/mol
LogP-1.19
Rot. Bonds4

About (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane

(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane (PubChem CID 160993884) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane
PubChem CID160993884
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane
SMILESC.NCC[C@H]1O[C@H](CCN)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H18N2O3.CH4/c9-3-1-5-7(11)8(12)6(13-5)2-4-10;/h5-8,11-12H,1-4,9-10H2;1H4/t5-,6-,7-,8-;/m1./s1
InChIKeyTUZIHGDEOREQRE-XNJRRJNCSA-N
XLogP-1.19
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane with MolForge

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Related Compounds

(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
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762
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
2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol
CID 59760904

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane?
The IUPAC name of (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane (CID 160993884) is (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane.
What is the SMILES notation for (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane?
The canonical SMILES for (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane is C.NCC[C@H]1O[C@H](CCN)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane?
The InChIKey is TUZIHGDEOREQRE-XNJRRJNCSA-N. The full InChI is InChI=1S/C8H18N2O3.CH4/c9-3-1-5-7(11)8(12)6(13-5)2-4-10;/h5-8,11-12H,1-4,9-10H2;1H4/t5-,6-,7-,8-;/m1./s1.
What are the key properties of (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane?
(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane has a molecular weight of 206.29 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane is sourced from PubChem (CID 160993884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).