(2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol

C8H15N3O5 — CID 135080855

IUPAC(2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol
SMILESCCC1O[C@](O)(CO)C(O)C(O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C8H15N3O5/c1-2-4-5(10-11-9)6(13)7(14)8(15,3-12)16-4/h4-7,12-15H,2-3H2,1H3/t4?,5-,6?,7?,8-/m1/s1
InChIKeySMDIMIBPEOOSHQ-SSULDBOMSA-N
MW233.22 g/mol
LogP-1.12
Rot. Bonds3

About (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol

(2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 135080855) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol
PubChem CID135080855
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name(2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol
SMILESCCC1O[C@](O)(CO)C(O)C(O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C8H15N3O5/c1-2-4-5(10-11-9)6(13)7(14)8(15,3-12)16-4/h4-7,12-15H,2-3H2,1H3/t4?,5-,6?,7?,8-/m1/s1
InChIKeySMDIMIBPEOOSHQ-SSULDBOMSA-N
XLogP-1.12
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Related Compounds

(3S,4S,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 14183822
(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 161396691
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2R,3S,4S,5S,6S)-3,5-diazido-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]oxane-2,4-diol
CID 153286459
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
CID 131086029
(3R,4S,5R)-2-(hydroxymethyl)-5-[(propan-2-ylideneamino)oxymethyl]oxolane-2,3,4-triol
CID 150541808
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 70436487
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol (CID 135080855) is (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol is CCC1O[C@](O)(CO)C(O)C(O)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol?
The InChIKey is SMDIMIBPEOOSHQ-SSULDBOMSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-2-4-5(10-11-9)6(13)7(14)8(15,3-12)16-4/h4-7,12-15H,2-3H2,1H3/t4?,5-,6?,7?,8-/m1/s1.
What are the key properties of (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol?
(2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 233.22 g/mol, XLogP of -1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-azido-6-ethyl-2-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 135080855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).