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

C61H97N15O41 — CID 101463758

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCOc2cn(COC[C@H]3O[C@@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H]3OCn3cc(OCCO[C@H]4O[C@H](CO)[C@@H](O)C(O)[C@@H]4O)nn3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C61H97N15O41/c77-16-27-38(82)43(87)48(92)56(112-27)103-6-1-98-33-11-72(67-62-33)22-97-21-32-53(108-23-73-12-34(63-68-73)99-2-7-104-57-49(93)44(88)39(83)28(17-78)113-57)54(109-24-74-13-35(64-69-74)100-3-8-105-58-50(94)45(89)40(84)29(18-79)114-58)55(110-25-75-14-36(65-70-75)101-4-9-106-59-51(95)46(90)41(85)30(19-80)115-59)61(117-32)111-26-76-15-37(66-71-76)102-5-10-107-60-52(96)47(91)42(86)31(20-81)116-60/h11-15,27-32,38-61,77-96H,1-10,16-26H2/t27-,28-,29-,30-,31-,32-,38-,39-,40-,41-,42-,43+,44?,45+,46+,47+,48+,49+,50+,51+,52+,53-,54+,55-,56+,57+,58+,59+,60+,61-/m1/s1
InChIKeyKDWQVIHRLXZDSS-USNFEMRLSA-N
MW1696.51 g/mol
LogP-15.88
Rot. Bonds46

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

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol (PubChem CID 101463758) has the molecular formula C61H97N15O41 and a molecular weight of 1696.51 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol
PubChem CID101463758
Molecular FormulaC61H97N15O41
Molecular Weight1696.51 g/mol
Exact Mass1695.60
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCOc2cn(COC[C@H]3O[C@@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H]3OCn3cc(OCCO[C@H]4O[C@H](CO)[C@@H](O)C(O)[C@@H]4O)nn3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C61H97N15O41/c77-16-27-38(82)43(87)48(92)56(112-27)103-6-1-98-33-11-72(67-62-33)22-97-21-32-53(108-23-73-12-34(63-68-73)99-2-7-104-57-49(93)44(88)39(83)28(17-78)113-57)54(109-24-74-13-35(64-69-74)100-3-8-105-58-50(94)45(89)40(84)29(18-79)114-58)55(110-25-75-14-36(65-70-75)101-4-9-106-59-51(95)46(90)41(85)30(19-80)115-59)61(117-32)111-26-76-15-37(66-71-76)102-5-10-107-60-52(96)47(91)42(86)31(20-81)116-60/h11-15,27-32,38-61,77-96H,1-10,16-26H2/t27-,28-,29-,30-,31-,32-,38-,39-,40-,41-,42-,43+,44?,45+,46+,47+,48+,49+,50+,51+,52+,53-,54+,55-,56+,57+,58+,59+,60+,61-/m1/s1
InChIKeyKDWQVIHRLXZDSS-USNFEMRLSA-N
XLogP-15.88
TPSA751.98 Ų
H-Bond Donors20
H-Bond Acceptors56
Rotatable Bonds46
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.51
LogP ≤ 5-15.88
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5S,6R)-2-[[4-(cyclopenta-1,3-dien-1-ylmethyl)triazol-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102282426
1-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]triazole-4-carbaldehyde
CID 163485190
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[2-[4-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59053329
(2S,3S,4S,5S,6R)-2-[2-[2-[2-[2-[2-[2-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139212609
(2R,3R,4S,5R,6R)-2-[2-[2-[2-[4-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[[1-[2-[2-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 52916066
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-[[5,11,17,23-tetratert-butyl-26,27,28-tris[[1-[2-[2-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
CID 44632569
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102169491
2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118261181
2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
CID 126968510
3,5-bis[[1-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]triazol-4-yl]methoxy]benzoic acid
CID 126705392
2-(hydroxymethyl)-6-(2-prop-2-enoxyethoxy)oxane-3,4,5-triol
CID 76584047
(3R,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18602519

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol (CID 101463758) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCCOc2cn(COC[C@H]3O[C@@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H](OCn4cc(OCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H]3OCn3cc(OCCO[C@H]4O[C@H](CO)[C@@H](O)C(O)[C@@H]4O)nn3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol?
The InChIKey is KDWQVIHRLXZDSS-USNFEMRLSA-N. The full InChI is InChI=1S/C61H97N15O41/c77-16-27-38(82)43(87)48(92)56(112-27)103-6-1-98-33-11-72(67-62-33)22-97-21-32-53(108-23-73-12-34(63-68-73)99-2-7-104-57-49(93)44(88)39(83)28(17-78)113-57)54(109-24-74-13-35(64-69-74)100-3-8-105-58-50(94)45(89)40(84)29(18-79)114-58)55(110-25-75-14-36(65-70-75)101-4-9-106-59-51(95)46(90)41(85)30(19-80)115-59)61(117-32)111-26-76-15-37(66-71-76)102-5-10-107-60-52(96)47(91)42(86)31(20-81)116-60/h11-15,27-32,38-61,77-96H,1-10,16-26H2/t27-,28-,29-,30-,31-,32-,38-,39-,40-,41-,42-,43+,44?,45+,46+,47+,48+,49+,50+,51+,52+,53-,54+,55-,56+,57+,58+,59+,60+,61-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol has a molecular weight of 1696.51 g/mol, XLogP of -15.88, 46 rotatable bonds, 20 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]triazol-1-yl]methoxy]oxan-2-yl]methoxymethyl]triazol-4-yl]oxyethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 101463758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).