(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane

C62H65NO13 — CID 122399100

IUPAC(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](COCc3ccccc3[N+](=O)[O-])[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C62H65NO13/c1-66-61-59(72-40-49-30-16-6-17-31-49)57(70-38-47-26-12-4-13-27-47)56(69-37-46-24-10-3-11-25-46)54(75-61)44-74-62-60(73-41-50-32-18-7-19-33-50)58(71-39-48-28-14-5-15-29-48)55(68-36-45-22-8-2-9-23-45)53(76-62)43-67-42-51-34-20-21-35-52(51)63(64)65/h2-35,53-62H,36-44H2,1H3/t53-,54-,55-,56-,57+,58+,59-,60-,61-,62-/m1/s1
InChIKeyHOHTXNISNBNIJE-MXSXRUIZSA-N
MW1032.20 g/mol
LogP10.74
Rot. Bonds27

About (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane

(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 122399100) has the molecular formula C62H65NO13 and a molecular weight of 1032.20 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane
PubChem CID122399100
Molecular FormulaC62H65NO13
Molecular Weight1032.20 g/mol
Exact Mass1031.45
IUPAC Name(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](COCc3ccccc3[N+](=O)[O-])[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C62H65NO13/c1-66-61-59(72-40-49-30-16-6-17-31-49)57(70-38-47-26-12-4-13-27-47)56(69-37-46-24-10-3-11-25-46)54(75-61)44-74-62-60(73-41-50-32-18-7-19-33-50)58(71-39-48-28-14-5-15-29-48)55(68-36-45-22-8-2-9-23-45)53(76-62)43-67-42-51-34-20-21-35-52(51)63(64)65/h2-35,53-62H,36-44H2,1H3/t53-,54-,55-,56-,57+,58+,59-,60-,61-,62-/m1/s1
InChIKeyHOHTXNISNBNIJE-MXSXRUIZSA-N
XLogP10.74
TPSA144.67 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.20
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane with MolForge

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Related Compounds

(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 25193340
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2S,3R,4R,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]peroxyoxane
CID 100959674
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
(2R,3R,4S,5R,6S)-2-(chloromethoxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 54470697
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane (CID 122399100) is (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane is CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](COCc3ccccc3[N+](=O)[O-])[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is HOHTXNISNBNIJE-MXSXRUIZSA-N. The full InChI is InChI=1S/C62H65NO13/c1-66-61-59(72-40-49-30-16-6-17-31-49)57(70-38-47-26-12-4-13-27-47)56(69-37-46-24-10-3-11-25-46)54(75-61)44-74-62-60(73-41-50-32-18-7-19-33-50)58(71-39-48-28-14-5-15-29-48)55(68-36-45-22-8-2-9-23-45)53(76-62)43-67-42-51-34-20-21-35-52(51)63(64)65/h2-35,53-62H,36-44H2,1H3/t53-,54-,55-,56-,57+,58+,59-,60-,61-,62-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane?
(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 1032.20 g/mol, XLogP of 10.74, 27 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(2-nitrophenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 122399100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).