(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol

C15H28N2O5 — CID 28961395

IUPAC(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol
SMILESOC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C15H28N2O5/c18-10-13-15(19)14(17-3-7-21-8-4-17)12(22-13)9-16-11-1-5-20-6-2-11/h11-16,18-19H,1-10H2/t12-,13+,14+,15-/m1/s1
InChIKeyNHIPXQJAQZVADB-CBBWQLFWSA-N
MW316.40 g/mol
LogP-1.42
Rot. Bonds5

About (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol

(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol (PubChem CID 28961395) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol
PubChem CID28961395
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol
SMILESOC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C15H28N2O5/c18-10-13-15(19)14(17-3-7-21-8-4-17)12(22-13)9-16-11-1-5-20-6-2-11/h11-16,18-19H,1-10H2/t12-,13+,14+,15-/m1/s1
InChIKeyNHIPXQJAQZVADB-CBBWQLFWSA-N
XLogP-1.42
TPSA83.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol (CID 28961395) is (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol is OC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol?
The InChIKey is NHIPXQJAQZVADB-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H28N2O5/c18-10-13-15(19)14(17-3-7-21-8-4-17)12(22-13)9-16-11-1-5-20-6-2-11/h11-16,18-19H,1-10H2/t12-,13+,14+,15-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol?
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol has a molecular weight of 316.40 g/mol, XLogP of -1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(oxan-4-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 28961395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).