(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol

C14H27N3O5 — CID 173485082

IUPAC(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol
SMILESCCCCOCC1O[C@@H](O)C(O)C(OCCCC)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C14H27N3O5/c1-3-5-7-20-9-10-11(16-17-15)13(21-8-6-4-2)12(18)14(19)22-10/h10-14,18-19H,3-9H2,1-2H3/t10?,11-,12?,13?,14+/m0/s1
InChIKeyOJRQYSIHHPCUOO-ARDLJMPDSA-N
MW317.39 g/mol
LogP1.75
Rot. Bonds10

About (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol

(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol (PubChem CID 173485082) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol.

Molecular Properties

Compound Name(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol
PubChem CID173485082
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol
SMILESCCCCOCC1O[C@@H](O)C(O)C(OCCCC)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C14H27N3O5/c1-3-5-7-20-9-10-11(16-17-15)13(21-8-6-4-2)12(18)14(19)22-10/h10-14,18-19H,3-9H2,1-2H3/t10?,11-,12?,13?,14+/m0/s1
InChIKeyOJRQYSIHHPCUOO-ARDLJMPDSA-N
XLogP1.75
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol 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

(3S,6S)-5-azido-4-butoxy-2-(butoxymethyl)-6-phenylsulfanyloxan-3-ol
CID 173487436
(2R,3R,4S,5S,6S)-5-azido-4-(2-phenylethoxy)-6-(2-phenylethoxymethyl)oxane-2,3-diol
CID 174746498
3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 77157010
(3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 66641660
(3S,4R,6S)-5-azido-4-butoxy-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 89468055
[(3S,5R,6S)-5-azido-4-butoxy-3-hydroxy-6-methyloxan-2-yl]methyl acetate
CID 118910937
(3S,6S)-5-azido-4-butoxy-6-methoxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-ol
CID 173486879
[(3S,4R,6S)-5-azido-3,4-dibutoxy-6-methyloxan-2-yl]methanol
CID 167593048
(2R,3R,4S,5R,6R,7R)-5,6-dibutoxy-7-(butoxymethyl)-2-methoxyoxepane-3,4-diol
CID 71171695
(3R,6S)-6-[4-(2-azidoethyl)phenoxy]-5-butoxy-2-(butoxymethyl)oxane-3,4-diol
CID 118374881
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
CID 102096103
(2S,3S,4S,5S,6S)-3-butoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 146216378

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol?
The IUPAC name of (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol (CID 173485082) is (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol.
What is the SMILES notation for (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol?
The canonical SMILES for (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol is CCCCOCC1O[C@@H](O)C(O)C(OCCCC)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol?
The InChIKey is OJRQYSIHHPCUOO-ARDLJMPDSA-N. The full InChI is InChI=1S/C14H27N3O5/c1-3-5-7-20-9-10-11(16-17-15)13(21-8-6-4-2)12(18)14(19)22-10/h10-14,18-19H,3-9H2,1-2H3/t10?,11-,12?,13?,14+/m0/s1.
What are the key properties of (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol?
(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol has a molecular weight of 317.39 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol is sourced from PubChem (CID 173485082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).