(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol

C14H29NO3 — CID 132525337

IUPAC(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
SMILESCCCCCCCCCOC[C@@H]1OC[C@H](N)[C@H]1O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-17-11-13-14(16)12(15)10-18-13/h12-14,16H,2-11,15H2,1H3/t12-,13-,14+/m0/s1
InChIKeyJPCJTRBGGNOZGE-MELADBBJSA-N
MW259.39 g/mol
LogP1.84
Rot. Bonds10

About (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol

(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol (PubChem CID 132525337) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
PubChem CID132525337
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
SMILESCCCCCCCCCOC[C@@H]1OC[C@H](N)[C@H]1O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-17-11-13-14(16)12(15)10-18-13/h12-14,16H,2-11,15H2,1H3/t12-,13-,14+/m0/s1
InChIKeyJPCJTRBGGNOZGE-MELADBBJSA-N
XLogP1.84
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-5-amino-3-methyl-2-(octoxymethyl)oxan-4-ol;N-methylacetamide;hydrate
CID 158114005
(2S,3R)-2-(butoxymethyl)oxetan-3-amine
CID 90365743
2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699711
4-amino-2-tetradecyloxolan-3-ol
CID 20764167
2-ethyl-3-(hexoxymethyl)oxetane
CID 141321228
(2S,3S,4S)-4-amino-2-[(1-dodecyltriazol-4-yl)methoxymethyl]oxolan-3-ol
CID 73054245
(2S,3S,4S)-4-amino-2-[(1-decyltriazol-4-yl)methoxymethyl]oxolan-3-ol
CID 73054244
(2S,3S,4S)-4-amino-2-[(1-octyltriazol-4-yl)methoxymethyl]oxolan-3-ol
CID 73054242
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
CID 102096103
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol (CID 132525337) is (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol is CCCCCCCCCOC[C@@H]1OC[C@H](N)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol?
The InChIKey is JPCJTRBGGNOZGE-MELADBBJSA-N. The full InChI is InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-17-11-13-14(16)12(15)10-18-13/h12-14,16H,2-11,15H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol?
(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol has a molecular weight of 259.39 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol is sourced from PubChem (CID 132525337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).