(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

C10H18N6O4 — CID 59439595

IUPAC(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCO[C@]1(C)O[C@@H](CN=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@@]1(C)OC
InChIInChI=1S/C10H18N6O4/c1-9(17-3)10(2,18-4)20-8(6-14-16-12)7(19-9)5-13-15-11/h7-8H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKeyVKZQUTPIKFBBMZ-UTINFBMNSA-N
MW286.29 g/mol
LogP2.12
Rot. Bonds6

About (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (PubChem CID 59439595) has the molecular formula C10H18N6O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
PubChem CID59439595
Molecular FormulaC10H18N6O4
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Name(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCO[C@]1(C)O[C@@H](CN=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@@]1(C)OC
InChIInChI=1S/C10H18N6O4/c1-9(17-3)10(2,18-4)20-8(6-14-16-12)7(19-9)5-13-15-11/h7-8H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKeyVKZQUTPIKFBBMZ-UTINFBMNSA-N
XLogP2.12
TPSA134.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.12
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

3-(azidomethyl)-2,2-dimethyloxirane
CID 45120427
methyl (3aR,4S,6R,6aR)-6-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylate
CID 15459904
(4aR,5R,8R,8aS)-7-azido-5-(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-8-phenylsulfanyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine
CID 101385428
(5S)-5-[(4S)-5-(azidomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 169302336
(3aR,5R,6S,6aR)-5-(azidomethyl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14954314
(1S,2R,6R,8R,9R)-9-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 14541401
(2S,3S,4aR,5R,7S,8aS)-5-(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-7-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-5,8a-dihydro-4aH-pyrano[3,4-b][1,4]dioxin-8-one
CID 66553445
(3aS,4R,6S,7R,7aR)-4-(azidomethyl)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 25267135
[(2S,3S,4R,5R)-3,4-diacetyloxy-5-(azidomethyl)-2-methoxyoxolan-2-yl]methyl acetate
CID 131874094
8-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 2755079
(1R,2S,6S,8R,9S)-8-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 124768010
methyl (E)-3-[(4S,6R,6aR)-6-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-aminoprop-2-enoate
CID 58996855

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The IUPAC name of (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (CID 59439595) is (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is CO[C@]1(C)O[C@@H](CN=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@@]1(C)OC.
What is the InChIKey of (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The InChIKey is VKZQUTPIKFBBMZ-UTINFBMNSA-N. The full InChI is InChI=1S/C10H18N6O4/c1-9(17-3)10(2,18-4)20-8(6-14-16-12)7(19-9)5-13-15-11/h7-8H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane has a molecular weight of 286.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 59439595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).