[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate

C37H43NO16 — CID 11274219

About [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate (PubChem CID 11274219) has the molecular formula C37H43NO16 and a molecular weight of 757.74 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate
• PubChem CID: 11274219
• Molecular Formula: C37H43NO16
• Molecular Weight: 757.74 g/mol
• Exact Mass: 757.26
• IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate
• SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H](C#N)c2ccccc2)O[C@H](CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O
• InChI: InChI=1S/C37H43NO16/c1-20(39)47-31-29(54-37(35(51-24(5)43)33(31)49-22(3)41)52-27(16-38)26-14-10-7-11-15-26)19-46-36-34(50-23(4)42)32(48-21(2)40)30(44)28(53-36)18-45-17-25-12-8-6-9-13-25/h6-15,27-37,44H,17-19H2,1-5H3/t27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+/m0/s1
• InChIKey: WLZUWPQPKAUXET-XPOCYADLSA-N
• XLogP: 1.97
• TPSA: 221.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.74
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate?

The IUPAC name of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate (CID 11274219) is [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H](C#N)c2ccccc2)O[C@H](CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate?

The InChIKey is WLZUWPQPKAUXET-XPOCYADLSA-N. The full InChI is InChI=1S/C37H43NO16/c1-20(39)47-31-29(54-37(35(51-24(5)43)33(31)49-22(3)41)52-27(16-38)26-14-10-7-11-15-26)19-46-36-34(50-23(4)42)32(48-21(2)40)30(44)28(53-36)18-45-17-25-12-8-6-9-13-25/h6-15,27-37,44H,17-19H2,1-5H3/t27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+/m0/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate?

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate has a molecular weight of 757.74 g/mol, XLogP of 1.97, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(R)-cyano(phenyl)methoxy]-2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] acetate is sourced from PubChem (CID 11274219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).