(2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol

C74H79N3O15 — CID 56620305

IUPAC(2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol
SMILES[N-]=[N+]=N[C@H]1[C@H](O)O[C@H](C(O)[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](O)[C@@]1(O)[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C74H79N3O15/c75-77-76-70-73(80)92-65(61(78)64-68(88-47-57-37-21-7-22-38-57)66(86-45-55-33-17-5-18-34-55)62(84-43-53-29-13-3-14-30-53)59(90-64)49-82-41-51-25-9-1-10-26-51)71(79)74(70,81)72-69(89-48-58-39-23-8-24-40-58)67(87-46-56-35-19-6-20-36-56)63(85-44-54-31-15-4-16-32-54)60(91-72)50-83-42-52-27-11-2-12-28-52/h1-40,59-73,78-81H,41-50H2/t59-,60-,61?,62+,63+,64+,65-,66+,67+,68+,69-,70+,71-,72-,73-,74-/m1/s1
InChIKeyQZOGGMGZMHRBFU-GWUWHTJRSA-N
MW1250.45 g/mol
LogP10.32
Rot. Bonds30

About (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol

(2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol (PubChem CID 56620305) has the molecular formula C74H79N3O15 and a molecular weight of 1250.45 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol
PubChem CID56620305
Molecular FormulaC74H79N3O15
Molecular Weight1250.45 g/mol
Exact Mass1249.55
IUPAC Name(2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol
SMILES[N-]=[N+]=N[C@H]1[C@H](O)O[C@H](C(O)[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](O)[C@@]1(O)[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C74H79N3O15/c75-77-76-70-73(80)92-65(61(78)64-68(88-47-57-37-21-7-22-38-57)66(86-45-55-33-17-5-18-34-55)62(84-43-53-29-13-3-14-30-53)59(90-64)49-82-41-51-25-9-1-10-26-51)71(79)74(70,81)72-69(89-48-58-39-23-8-24-40-58)67(87-46-56-35-19-6-20-36-56)63(85-44-54-31-15-4-16-32-54)60(91-72)50-83-42-52-27-11-2-12-28-52/h1-40,59-73,78-81H,41-50H2/t59-,60-,61?,62+,63+,64+,65-,66+,67+,68+,69-,70+,71-,72-,73-,74-/m1/s1
InChIKeyQZOGGMGZMHRBFU-GWUWHTJRSA-N
XLogP10.32
TPSA231.21 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.45
LogP ≤ 510.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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 (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol with MolForge

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Related Compounds

(2S,3S,4R,5R,6R)-2-[(S)-azido(phenyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 16749076
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067
(1S,2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
CID 10876698
(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
(1S,2S,3S,4R,5S,6S)-2-[(2S,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11051363
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol (CID 56620305) is (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol is [N-]=[N+]=N[C@H]1[C@H](O)O[C@H](C(O)[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](O)[C@@]1(O)[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol?
The InChIKey is QZOGGMGZMHRBFU-GWUWHTJRSA-N. The full InChI is InChI=1S/C74H79N3O15/c75-77-76-70-73(80)92-65(61(78)64-68(88-47-57-37-21-7-22-38-57)66(86-45-55-33-17-5-18-34-55)62(84-43-53-29-13-3-14-30-53)59(90-64)49-82-41-51-25-9-1-10-26-51)71(79)74(70,81)72-69(89-48-58-39-23-8-24-40-58)67(87-46-56-35-19-6-20-36-56)63(85-44-54-31-15-4-16-32-54)60(91-72)50-83-42-52-27-11-2-12-28-52/h1-40,59-73,78-81H,41-50H2/t59-,60-,61?,62+,63+,64+,65-,66+,67+,68+,69-,70+,71-,72-,73-,74-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol?
(2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol has a molecular weight of 1250.45 g/mol, XLogP of 10.32, 30 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-3-azido-6-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxane-2,4,5-triol is sourced from PubChem (CID 56620305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).