(2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C32H49N9O20 — CID 73334524

IUPAC(2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCc2cn([C@H]3[C@H](O)[C@@H](O)[C@H](n4cc([C@@H]5O[C@H](CO)[C@@H](n6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)[C@H](O)[C@H]5O)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C32H49N9O20/c42-4-13-17(39-1-10(33-36-39)8-56-31-27(54)23(50)19(46)15(6-44)60-31)21(48)25(52)29(58-13)12-3-41(38-35-12)30-26(53)22(49)18(14(5-43)59-30)40-2-11(34-37-40)9-57-32-28(55)24(51)20(47)16(7-45)61-32/h1-3,13-32,42-55H,4-9H2/t13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-/m1/s1
InChIKeyHYLYKGONIMWSRA-LIEQSAPOSA-N
MW879.79 g/mol
LogP-9.66
Rot. Bonds14

About (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 73334524) has the molecular formula C32H49N9O20 and a molecular weight of 879.79 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID73334524
Molecular FormulaC32H49N9O20
Molecular Weight879.79 g/mol
Exact Mass879.31
IUPAC Name(2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCc2cn([C@H]3[C@H](O)[C@@H](O)[C@H](n4cc([C@@H]5O[C@H](CO)[C@@H](n6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)[C@H](O)[C@H]5O)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C32H49N9O20/c42-4-13-17(39-1-10(33-36-39)8-56-31-27(54)23(50)19(46)15(6-44)60-31)21(48)25(52)29(58-13)12-3-41(38-35-12)30-26(53)22(49)18(14(5-43)59-30)40-2-11(34-37-40)9-57-32-28(55)24(51)20(47)16(7-45)61-32/h1-3,13-32,42-55H,4-9H2/t13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-/m1/s1
InChIKeyHYLYKGONIMWSRA-LIEQSAPOSA-N
XLogP-9.66
TPSA430.73 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.79
LogP ≤ 5-9.66
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 73334524) is (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCc2cn([C@H]3[C@H](O)[C@@H](O)[C@H](n4cc([C@@H]5O[C@H](CO)[C@@H](n6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)[C@H](O)[C@H]5O)nn4)O[C@@H]3CO)nn2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is HYLYKGONIMWSRA-LIEQSAPOSA-N. The full InChI is InChI=1S/C32H49N9O20/c42-4-13-17(39-1-10(33-36-39)8-56-31-27(54)23(50)19(46)15(6-44)60-31)21(48)25(52)29(58-13)12-3-41(38-35-12)30-26(53)22(49)18(14(5-43)59-30)40-2-11(34-37-40)9-57-32-28(55)24(51)20(47)16(7-45)61-32/h1-3,13-32,42-55H,4-9H2/t13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 879.79 g/mol, XLogP of -9.66, 14 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[[1-[(2S,3S,4S,5R,6S)-6-[1-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxan-2-yl]triazol-4-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 73334524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).