(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol

C10H19N3O4 — CID 59078200

IUPAC(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
SMILESCC(C)(C)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)9-8(16)7(15)6(14)5(17-9)4-12-13-11/h5-9,14-16H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyCBFJGJQIBKUTTG-SYHAXYEDSA-N
MW245.28 g/mol
LogP0.19
Rot. Bonds2

About (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol (PubChem CID 59078200) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
PubChem CID59078200
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
SMILESCC(C)(C)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)9-8(16)7(15)6(14)5(17-9)4-12-13-11/h5-9,14-16H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyCBFJGJQIBKUTTG-SYHAXYEDSA-N
XLogP0.19
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2S,4S,5R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 71165152
(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 130471812
2-(azidomethyl)-6-ethyloxane-3,4,5-triol
CID 71122120
(3S,6S)-2-(azidomethyl)-6-methyloxane-3,4,5-triol
CID 173482510
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
actinium;(3R,4S,5S,6R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 59078250
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
CID 164952403
(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
CID 91094660
(2R,3S,4S,5R,6R)-2-(azidomethyl)-6-[(2R,3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 15954113
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol (CID 59078200) is (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol is CC(C)(C)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol?
The InChIKey is CBFJGJQIBKUTTG-SYHAXYEDSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)9-8(16)7(15)6(14)5(17-9)4-12-13-11/h5-9,14-16H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol has a molecular weight of 245.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol is sourced from PubChem (CID 59078200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).