(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine

C61H61Cl4NO10 — CID 101090690

IUPAC(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine
SMILESN[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccc(Cl)cc3)[C@H](OCc3ccc(Cl)cc3)[C@H](OCc3ccc(Cl)cc3)[C@H]2OCc2ccc(Cl)cc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C61H61Cl4NO10/c62-48-24-16-44(17-25-48)33-68-39-52-55(69-35-45-18-26-49(63)27-19-45)58(71-36-46-20-28-50(64)29-21-46)59(72-37-47-22-30-51(65)31-23-47)61(75-52)76-56-53(40-67-32-41-10-4-1-5-11-41)74-60(73-38-43-14-8-3-9-15-43)54(66)57(56)70-34-42-12-6-2-7-13-42/h1-31,52-61H,32-40,66H2/t52-,53-,54-,55+,56-,57-,58+,59-,60-,61+/m1/s1
InChIKeyZYOYJXLTNHKZOY-WPBQJYJRSA-N
MW1109.97 g/mol
LogP12.75
Rot. Bonds25

About (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine

(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine (PubChem CID 101090690) has the molecular formula C61H61Cl4NO10 and a molecular weight of 1109.97 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine
PubChem CID101090690
Molecular FormulaC61H61Cl4NO10
Molecular Weight1109.97 g/mol
Exact Mass1107.30
IUPAC Name(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine
SMILESN[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccc(Cl)cc3)[C@H](OCc3ccc(Cl)cc3)[C@H](OCc3ccc(Cl)cc3)[C@H]2OCc2ccc(Cl)cc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C61H61Cl4NO10/c62-48-24-16-44(17-25-48)33-68-39-52-55(69-35-45-18-26-49(63)27-19-45)58(71-36-46-20-28-50(64)29-21-46)59(72-37-47-22-30-51(65)31-23-47)61(75-52)76-56-53(40-67-32-41-10-4-1-5-11-41)74-60(73-38-43-14-8-3-9-15-43)54(66)57(56)70-34-42-12-6-2-7-13-42/h1-31,52-61H,32-40,66H2/t52-,53-,54-,55+,56-,57-,58+,59-,60-,61+/m1/s1
InChIKeyZYOYJXLTNHKZOY-WPBQJYJRSA-N
XLogP12.75
TPSA118.32 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.97
LogP ≤ 512.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine with MolForge

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Related Compounds

2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(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
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(2R,3S,4R,5R,6S)-5-amino-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[(2S,3S,4S,5R,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-ol
CID 15431219
(1R,3S,4R,5R,6S)-4-[(2R,3R,4R,5R,6R)-3-amino-6-(aminomethyl)-4,5-bis[(4-chlorophenyl)methoxy]oxan-2-yl]oxy-5-[(2R,3R,4R,5R)-4-[(2R,3R,4R,5R,6S)-3-amino-6-(aminomethyl)-4,5-bis[(4-chlorophenyl)methoxy]oxan-2-yl]oxy-3-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]oxolan-2-yl]oxy-6-[(4-chlorophenyl)methoxy]cyclohexane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 54591466
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
[(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933
(1R,3S,4R,5S,6S)-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-phenylmethoxycyclohexane-1,3-diamine
CID 46223123
(2R,3R,4R,5R,6R)-6-[(4-chlorophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 22956578

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine?
The IUPAC name of (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine (CID 101090690) is (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine?
The canonical SMILES for (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine is N[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccc(Cl)cc3)[C@H](OCc3ccc(Cl)cc3)[C@H](OCc3ccc(Cl)cc3)[C@H]2OCc2ccc(Cl)cc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine?
The InChIKey is ZYOYJXLTNHKZOY-WPBQJYJRSA-N. The full InChI is InChI=1S/C61H61Cl4NO10/c62-48-24-16-44(17-25-48)33-68-39-52-55(69-35-45-18-26-49(63)27-19-45)58(71-36-46-20-28-50(64)29-21-46)59(72-37-47-22-30-51(65)31-23-47)61(75-52)76-56-53(40-67-32-41-10-4-1-5-11-41)74-60(73-38-43-14-8-3-9-15-43)54(66)57(56)70-34-42-12-6-2-7-13-42/h1-31,52-61H,32-40,66H2/t52-,53-,54-,55+,56-,57-,58+,59-,60-,61+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine?
(2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine has a molecular weight of 1109.97 g/mol, XLogP of 12.75, 25 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-2-yl]oxyoxan-3-amine is sourced from PubChem (CID 101090690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).