(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane

C10H19N3O5 — CID 101153108

IUPAC(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane
SMILESCO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H19N3O5/c1-14-7-6(5-12-13-11)18-10(17-4)9(16-3)8(7)15-2/h6-10H,5H2,1-4H3/t6-,7+,8+,9-,10+/m1/s1
InChIKeyKTYKGENEGKHAIY-KBDSZGMXSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds6

About (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane

(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane (PubChem CID 101153108) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane
PubChem CID101153108
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane
SMILESCO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H19N3O5/c1-14-7-6(5-12-13-11)18-10(17-4)9(16-3)8(7)15-2/h6-10H,5H2,1-4H3/t6-,7+,8+,9-,10+/m1/s1
InChIKeyKTYKGENEGKHAIY-KBDSZGMXSA-N
XLogP0.71
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
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

(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol
CID 101153112
[(3S,4R,5S)-4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] acetate
CID 45050049
(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
CID 130763721
(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
CID 91094660
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(2S,3S,4S,5R,6S)-2-(bromomethyl)-3,4,5,6-tetramethoxyoxane
CID 14374457
[(3aR,4R,6S,7S,7aR)-4-(azidomethyl)-6-methoxy-2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 102370959
2,3,4,5,6-pentamethoxyoxane
CID 568209
(3aR,5R,6S,6aR)-5-(azidomethyl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14954314
2-[2-(azidomethyl)-3,5-bis(carboxymethyl)-6-methoxyoxan-4-yl]acetic acid
CID 135375239
[(2R,3R,4R)-4,5-diacetyloxy-2-(azidomethyl)oxolan-3-yl] acetate
CID 54536597
[4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] benzoate
CID 4317109

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane (CID 101153108) is (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane is CO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane?
The InChIKey is KTYKGENEGKHAIY-KBDSZGMXSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-14-7-6(5-12-13-11)18-10(17-4)9(16-3)8(7)15-2/h6-10H,5H2,1-4H3/t6-,7+,8+,9-,10+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane?
(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane has a molecular weight of 261.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane is sourced from PubChem (CID 101153108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).