(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol

C12H24N2O7 — CID 69115362

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol
SMILESOC[C@@]1(O)O[C@@H](C(O)NCCN2CCOCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24N2O7/c15-7-12(19)10(17)8(16)9(21-12)11(18)13-1-2-14-3-5-20-6-4-14/h8-11,13,15-19H,1-7H2/t8-,9-,10+,11?,12-/m1/s1
InChIKeyUARWKZXQNZMGGH-NXQJVVEESA-N
MW308.33 g/mol
LogP-3.97
Rot. Bonds6

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol (PubChem CID 69115362) has the molecular formula C12H24N2O7 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol
PubChem CID69115362
Molecular FormulaC12H24N2O7
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol
SMILESOC[C@@]1(O)O[C@@H](C(O)NCCN2CCOCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H24N2O7/c15-7-12(19)10(17)8(16)9(21-12)11(18)13-1-2-14-3-5-20-6-4-14/h8-11,13,15-19H,1-7H2/t8-,9-,10+,11?,12-/m1/s1
InChIKeyUARWKZXQNZMGGH-NXQJVVEESA-N
XLogP-3.97
TPSA134.88 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.33
LogP ≤ 5-3.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol (CID 69115362) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol is OC[C@@]1(O)O[C@@H](C(O)NCCN2CCOCC2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol?
The InChIKey is UARWKZXQNZMGGH-NXQJVVEESA-N. The full InChI is InChI=1S/C12H24N2O7/c15-7-12(19)10(17)8(16)9(21-12)11(18)13-1-2-14-3-5-20-6-4-14/h8-11,13,15-19H,1-7H2/t8-,9-,10+,11?,12-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol has a molecular weight of 308.33 g/mol, XLogP of -3.97, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[hydroxy-(2-morpholin-4-ylethylamino)methyl]oxolane-2,3,4-triol is sourced from PubChem (CID 69115362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).