bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane

C77H146N30O31 — CID 159368392

IUPACbis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane
SMILESC.CC1OC(C)[C@@H](O)C(O)C1O.CC1OC(C)[C@@H](O)[C@H](O)C1N=[N+]=[N-].CC1OC(O)C(N=[N+]=[N-])[C@@H](O)[C@@H]1O.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CO)O[C@@H]1C.CC1[C@@H](O)[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](O)[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@H](C)OC(CO)[C@@H](O)[C@@H]1N=[N+]=[N-].CC1[C@H](C)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/2C8H14N6O2.4C8H15N3O3.C8H16O4.C7H13N3O3.C7H14O4.C6H11N3O4.CH4/c2*1-4-5(2)16-6(3-11-13-9)8(15)7(4)12-14-10;2*1-4-5(2)14-6(3-12)8(13)7(4)10-11-9;2*1-4-5(2)14-6(3-10-11-9)8(13)7(4)12;1-4-5(2)12-6(3-9)8(11)7(4)10;1-3-5(9-10-8)7(12)6(11)4(2)13-3;1-3-5(8)7(10)6(9)4(2)11-3;1-2-4(10)5(11)3(8-9-7)6(12)13-2;/h2*4-8,15H,3H2,1-2H3;4*4-8,12-13H,3H2,1-2H3;4-11H,3H2,1-2H3;3-7,11-12H,1-2H3;3-10H,1-2H3;2-6,10-12H,1H3;1H4/t2*4?,5-,6?,7-,8-;4?,5-,6?,7+,8+;3*4?,5-,6?,7-,8-;4?,5-,6?,7+,8+;3?,4?,5?,6-,7-;3?,4?,5-,6?,7?;2?,3?,4-,5-,6?;/m1101110111./s1
InChIKeyLJKOJHSQJMIMGI-HFEYGJOSSA-N
MW1988.19 g/mol
LogP3.24
Rot. Bonds17

About bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane

bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane (PubChem CID 159368392) has the molecular formula C77H146N30O31 and a molecular weight of 1988.19 g/mol. Its IUPAC name is bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane.

Molecular Properties

Compound Namebis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane
PubChem CID159368392
Molecular FormulaC77H146N30O31
Molecular Weight1988.19 g/mol
Exact Mass1987.08
IUPAC Namebis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane
SMILESC.CC1OC(C)[C@@H](O)C(O)C1O.CC1OC(C)[C@@H](O)[C@H](O)C1N=[N+]=[N-].CC1OC(O)C(N=[N+]=[N-])[C@@H](O)[C@@H]1O.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CO)O[C@@H]1C.CC1[C@@H](O)[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](O)[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@H](C)OC(CO)[C@@H](O)[C@@H]1N=[N+]=[N-].CC1[C@H](C)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/2C8H14N6O2.4C8H15N3O3.C8H16O4.C7H13N3O3.C7H14O4.C6H11N3O4.CH4/c2*1-4-5(2)16-6(3-11-13-9)8(15)7(4)12-14-10;2*1-4-5(2)14-6(3-12)8(13)7(4)10-11-9;2*1-4-5(2)14-6(3-10-11-9)8(13)7(4)12;1-4-5(2)12-6(3-9)8(11)7(4)10;1-3-5(9-10-8)7(12)6(11)4(2)13-3;1-3-5(8)7(10)6(9)4(2)11-3;1-2-4(10)5(11)3(8-9-7)6(12)13-2;/h2*4-8,15H,3H2,1-2H3;4*4-8,12-13H,3H2,1-2H3;4-11H,3H2,1-2H3;3-7,11-12H,1-2H3;3-10H,1-2H3;2-6,10-12H,1H3;1H4/t2*4?,5-,6?,7-,8-;4?,5-,6?,7+,8+;3*4?,5-,6?,7-,8-;4?,5-,6?,7+,8+;3?,4?,5?,6-,7-;3?,4?,5-,6?,7?;2?,3?,4-,5-,6?;/m1101110111./s1
InChIKeyLJKOJHSQJMIMGI-HFEYGJOSSA-N
XLogP3.24
TPSA1004.73 Ų
H-Bond Donors21
H-Bond Acceptors41
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.19
LogP ≤ 53.24
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1041

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'}

Analyze bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane with MolForge

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Related Compounds

(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(3S,6S)-2-(azidomethyl)-6-methyloxane-3,4,5-triol
CID 173482510
actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol
CID 160707784
(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
CID 164952403
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
CID 124636003
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281

Frequently Asked Questions

What is the IUPAC name of bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane?
The IUPAC name of bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane (CID 159368392) is bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane.
What is the SMILES notation for bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane?
The canonical SMILES for bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane is C.CC1OC(C)[C@@H](O)C(O)C1O.CC1OC(C)[C@@H](O)[C@H](O)C1N=[N+]=[N-].CC1OC(O)C(N=[N+]=[N-])[C@@H](O)[C@@H]1O.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](N=[N+]=[N-])[C@H](O)C(CO)O[C@@H]1C.CC1[C@@H](O)[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@@H](O)[C@H](O)C(CN=[N+]=[N-])O[C@@H]1C.CC1[C@H](C)OC(CO)[C@@H](O)[C@@H]1N=[N+]=[N-].CC1[C@H](C)OC(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane?
The InChIKey is LJKOJHSQJMIMGI-HFEYGJOSSA-N. The full InChI is InChI=1S/2C8H14N6O2.4C8H15N3O3.C8H16O4.C7H13N3O3.C7H14O4.C6H11N3O4.CH4/c2*1-4-5(2)16-6(3-11-13-9)8(15)7(4)12-14-10;2*1-4-5(2)14-6(3-12)8(13)7(4)10-11-9;2*1-4-5(2)14-6(3-10-11-9)8(13)7(4)12;1-4-5(2)12-6(3-9)8(11)7(4)10;1-3-5(9-10-8)7(12)6(11)4(2)13-3;1-3-5(8)7(10)6(9)4(2)11-3;1-2-4(10)5(11)3(8-9-7)6(12)13-2;/h2*4-8,15H,3H2,1-2H3;4*4-8,12-13H,3H2,1-2H3;4-11H,3H2,1-2H3;3-7,11-12H,1-2H3;3-10H,1-2H3;2-6,10-12H,1H3;1H4/t2*4?,5-,6?,7-,8-;4?,5-,6?,7+,8+;3*4?,5-,6?,7-,8-;4?,5-,6?,7+,8+;3?,4?,5?,6-,7-;3?,4?,5-,6?,7?;2?,3?,4-,5-,6?;/m1101110111./s1.
What are the key properties of bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane?
bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane has a molecular weight of 1988.19 g/mol, XLogP of 3.24, 17 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane is sourced from PubChem (CID 159368392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).