(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol

C19H39NO6 — CID 172578941

IUPAC(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
SMILESCC(C)C1C[C@H](C)C(O)OC1CO.CC(C)C1C[C@H](N)C(O)OC1CO
InChIInChI=1S/C10H20O3.C9H19NO3/c1-6(2)8-4-7(3)10(12)13-9(8)5-11;1-5(2)6-3-7(10)9(12)13-8(6)4-11/h6-12H,4-5H2,1-3H3;5-9,11-12H,3-4,10H2,1-2H3/t7-,8?,9?,10?;6?,7-,8?,9?/m00/s1
InChIKeyIYNPQUCRLIBISK-PHONMEKPSA-N
MW377.52 g/mol
LogP0.68
Rot. Bonds4

About (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol

(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol (PubChem CID 172578941) has the molecular formula C19H39NO6 and a molecular weight of 377.52 g/mol. Its IUPAC name is (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
PubChem CID172578941
Molecular FormulaC19H39NO6
Molecular Weight377.52 g/mol
Exact Mass377.28
IUPAC Name(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
SMILESCC(C)C1C[C@H](C)C(O)OC1CO.CC(C)C1C[C@H](N)C(O)OC1CO
InChIInChI=1S/C10H20O3.C9H19NO3/c1-6(2)8-4-7(3)10(12)13-9(8)5-11;1-5(2)6-3-7(10)9(12)13-8(6)4-11/h6-12H,4-5H2,1-3H3;5-9,11-12H,3-4,10H2,1-2H3/t7-,8?,9?,10?;6?,7-,8?,9?/m00/s1
InChIKeyIYNPQUCRLIBISK-PHONMEKPSA-N
XLogP0.68
TPSA125.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
CID 172578816
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
CID 177330552
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-6-amino-2,3-dihydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 167615692
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
4-amino-2,6-di(propan-2-yl)cyclohexan-1-ol
CID 58351133
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
CID 167208192
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol?
The IUPAC name of (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol (CID 172578941) is (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol.
What is the SMILES notation for (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol?
The canonical SMILES for (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol is CC(C)C1C[C@H](C)C(O)OC1CO.CC(C)C1C[C@H](N)C(O)OC1CO.
What is the InChIKey of (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol?
The InChIKey is IYNPQUCRLIBISK-PHONMEKPSA-N. The full InChI is InChI=1S/C10H20O3.C9H19NO3/c1-6(2)8-4-7(3)10(12)13-9(8)5-11;1-5(2)6-3-7(10)9(12)13-8(6)4-11/h6-12H,4-5H2,1-3H3;5-9,11-12H,3-4,10H2,1-2H3/t7-,8?,9?,10?;6?,7-,8?,9?/m00/s1.
What are the key properties of (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol?
(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol has a molecular weight of 377.52 g/mol, XLogP of 0.68, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol is sourced from PubChem (CID 172578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).