N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C23H29NO6 — CID 15173454

IUPACN-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C23H29NO6/c1-16(25)24-20-21(26)22(29-14-18-11-7-4-8-12-18)19(30-23(20)27-2)15-28-13-17-9-5-3-6-10-17/h3-12,19-23,26H,13-15H2,1-2H3,(H,24,25)/t19-,20-,21-,22-,23+/m1/s1
InChIKeyLUORVYLCGRAXGT-JLMDMGSGSA-N
MW415.49 g/mol
LogP2.03
Rot. Bonds9

About N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 15173454) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID15173454
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC NameN-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C23H29NO6/c1-16(25)24-20-21(26)22(29-14-18-11-7-4-8-12-18)19(30-23(20)27-2)15-28-13-17-9-5-3-6-10-17/h3-12,19-23,26H,13-15H2,1-2H3,(H,24,25)/t19-,20-,21-,22-,23+/m1/s1
InChIKeyLUORVYLCGRAXGT-JLMDMGSGSA-N
XLogP2.03
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 15173454) is N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is LUORVYLCGRAXGT-JLMDMGSGSA-N. The full InChI is InChI=1S/C23H29NO6/c1-16(25)24-20-21(26)22(29-14-18-11-7-4-8-12-18)19(30-23(20)27-2)15-28-13-17-9-5-3-6-10-17/h3-12,19-23,26H,13-15H2,1-2H3,(H,24,25)/t19-,20-,21-,22-,23+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 15173454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).