(2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol

C19H37NO5 — CID 59900204

IUPAC(2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol
SMILESC/C=C\O[C@H]1O[C@H](CO)[C@@H](O)C(OCCCCCCCCCC)[C@H]1N
InChIInChI=1S/C19H37NO5/c1-3-5-6-7-8-9-10-11-13-23-18-16(20)19(24-12-4-2)25-15(14-21)17(18)22/h4,12,15-19,21-22H,3,5-11,13-14,20H2,1-2H3/b12-4-/t15-,16-,17-,18?,19+/m1/s1
InChIKeyWEOBQAOGYDWVIU-HKDUDHRQSA-N
MW359.51 g/mol
LogP2.47
Rot. Bonds13

About (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol

(2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol (PubChem CID 59900204) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol
PubChem CID59900204
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC Name(2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol
SMILESC/C=C\O[C@H]1O[C@H](CO)[C@@H](O)C(OCCCCCCCCCC)[C@H]1N
InChIInChI=1S/C19H37NO5/c1-3-5-6-7-8-9-10-11-13-23-18-16(20)19(24-12-4-2)25-15(14-21)17(18)22/h4,12,15-19,21-22H,3,5-11,13-14,20H2,1-2H3/b12-4-/t15-,16-,17-,18?,19+/m1/s1
InChIKeyWEOBQAOGYDWVIU-HKDUDHRQSA-N
XLogP2.47
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol with MolForge

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Related Compounds

(3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;(3S,4R,6S)-4-decoxy-2-(hydroxymethyl)-5-(propan-2-ylideneamino)-6-[(Z)-prop-1-enoxy]oxan-3-ol;propan-2-imine
CID 161287839
potassium;(6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;2-methylpropan-2-olate
CID 159774101
potassium;(2R,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;2-methylpropan-2-olate
CID 159774102
potassium;(2R,3S,4R,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol;N-[(2S,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]-2,2,2-trifluoroacetamide;methane;2-methylpropan-2-olate
CID 157173859
(2R,3R,4S,5R)-4,5-bis(1-deuteriododecoxy)-2-(hydroxymethyl)-6-[(E)-prop-1-enoxy]oxan-3-ol
CID 139996583
(2R,3R,4S,5R,6R)-4-dodecoxy-2-(hydroxymethyl)-5,6-dioctoxyoxan-3-ol
CID 101366680
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-undecoxyoxane-2,3,5-triol
CID 13365350
(3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 12986433
(2R,3R,4S,5S,6R)-2-heptadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 98052270
(2R,3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67411650
(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
CID 67410580

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol (CID 59900204) is (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol is C/C=C\O[C@H]1O[C@H](CO)[C@@H](O)C(OCCCCCCCCCC)[C@H]1N.
What is the InChIKey of (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol?
The InChIKey is WEOBQAOGYDWVIU-HKDUDHRQSA-N. The full InChI is InChI=1S/C19H37NO5/c1-3-5-6-7-8-9-10-11-13-23-18-16(20)19(24-12-4-2)25-15(14-21)17(18)22/h4,12,15-19,21-22H,3,5-11,13-14,20H2,1-2H3/b12-4-/t15-,16-,17-,18?,19+/m1/s1.
What are the key properties of (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol?
(2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol has a molecular weight of 359.51 g/mol, XLogP of 2.47, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-5-amino-4-decoxy-2-(hydroxymethyl)-6-[(Z)-prop-1-enoxy]oxan-3-ol is sourced from PubChem (CID 59900204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).