(2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol

C46H53NO8 — CID 174135985

IUPAC(2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol
SMILESC[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](N)CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C46H53NO8/c1-34(48)42(50-28-36-19-9-3-10-20-36)40(47)32-54-46-45(53-31-39-25-15-6-16-26-39)44(52-30-38-23-13-5-14-24-38)43(51-29-37-21-11-4-12-22-37)41(55-46)33-49-27-35-17-7-2-8-18-35/h2-26,34,40-46,48H,27-33,47H2,1H3/t34-,40+,41?,42-,43+,44?,45?,46+/m1/s1
InChIKeyLFPHDOHDXKXADY-QMXIFAOKSA-N
MW747.93 g/mol
LogP6.99
Rot. Bonds21

About (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol

(2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol (PubChem CID 174135985) has the molecular formula C46H53NO8 and a molecular weight of 747.93 g/mol. Its IUPAC name is (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol
PubChem CID174135985
Molecular FormulaC46H53NO8
Molecular Weight747.93 g/mol
Exact Mass747.38
IUPAC Name(2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol
SMILESC[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](N)CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C46H53NO8/c1-34(48)42(50-28-36-19-9-3-10-20-36)40(47)32-54-46-45(53-31-39-25-15-6-16-26-39)44(52-30-38-23-13-5-14-24-38)43(51-29-37-21-11-4-12-22-37)41(55-46)33-49-27-35-17-7-2-8-18-35/h2-26,34,40-46,48H,27-33,47H2,1H3/t34-,40+,41?,42-,43+,44?,45?,46+/m1/s1
InChIKeyLFPHDOHDXKXADY-QMXIFAOKSA-N
XLogP6.99
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.93
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol with MolForge

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Related Compounds

1,3-bis[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]propan-2-ol
CID 59819467
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
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
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067
(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602
(2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol
CID 11411919
(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
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane
CID 11330690
(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
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-propan-2-yloxyoxolane
CID 14702693
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol?
The IUPAC name of (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol (CID 174135985) is (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol.
What is the SMILES notation for (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol?
The canonical SMILES for (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol is C[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](N)CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol?
The InChIKey is LFPHDOHDXKXADY-QMXIFAOKSA-N. The full InChI is InChI=1S/C46H53NO8/c1-34(48)42(50-28-36-19-9-3-10-20-36)40(47)32-54-46-45(53-31-39-25-15-6-16-26-39)44(52-30-38-23-13-5-14-24-38)43(51-29-37-21-11-4-12-22-37)41(55-46)33-49-27-35-17-7-2-8-18-35/h2-26,34,40-46,48H,27-33,47H2,1H3/t34-,40+,41?,42-,43+,44?,45?,46+/m1/s1.
What are the key properties of (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol?
(2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol has a molecular weight of 747.93 g/mol, XLogP of 6.99, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-amino-3-phenylmethoxy-5-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-ol is sourced from PubChem (CID 174135985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).