[(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate

C26H27NO10 — CID 101019320

IUPAC[(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate
SMILESCC(=O)OC1O[C@H](CONC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C26H27NO10/c1-14(28)34-23-22(37-25(36-16(3)30)24(23)35-15(2)29)13-33-27-26(31)32-12-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-25H,12-13H2,1-3H3,(H,27,31)/t22-,23-,24-,25?/m1/s1
InChIKeyCDGPYEYERVBRHF-AWYPOSSQSA-N
MW513.50 g/mol
LogP2.61
Rot. Bonds8

About [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate

[(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate (PubChem CID 101019320) has the molecular formula C26H27NO10 and a molecular weight of 513.50 g/mol. Its IUPAC name is [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate
PubChem CID101019320
Molecular FormulaC26H27NO10
Molecular Weight513.50 g/mol
Exact Mass513.16
IUPAC Name[(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate
SMILESCC(=O)OC1O[C@H](CONC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C26H27NO10/c1-14(28)34-23-22(37-25(36-16(3)30)24(23)35-15(2)29)13-33-27-26(31)32-12-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-25H,12-13H2,1-3H3,(H,27,31)/t22-,23-,24-,25?/m1/s1
InChIKeyCDGPYEYERVBRHF-AWYPOSSQSA-N
XLogP2.61
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]methylsulfanyl]butanoate
CID 69403118
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoate
CID 101340726
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoic acid
CID 177395504
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutanoic acid
CID 125033093
(2S)-3-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 10581717
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-fluorooxan-2-yl] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate
CID 11671713
methyl (2S)-3-[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-iodooxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 132510531
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
CID 100933513
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3S,4S,5R,6R)-3,4,5-tris[(2-deuterioacetyl)oxy]-6-[(2-deuterioacetyl)oxymethyl]oxan-2-yl]oxypropanoic acid
CID 139774733
[(2R,3R,4S,5S,6R)-5,6-diacetyloxy-2-(acetyloxymethyl)-4-benzoyloxyoxan-3-yl] benzoate
CID 11237618
[(2R,4S,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 2783912
[(2S,3S,4R,5R)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 44629946

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate (CID 101019320) is [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate is CC(=O)OC1O[C@H](CONC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate?
The InChIKey is CDGPYEYERVBRHF-AWYPOSSQSA-N. The full InChI is InChI=1S/C26H27NO10/c1-14(28)34-23-22(37-25(36-16(3)30)24(23)35-15(2)29)13-33-27-26(31)32-12-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-25H,12-13H2,1-3H3,(H,27,31)/t22-,23-,24-,25?/m1/s1.
What are the key properties of [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate?
[(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate has a molecular weight of 513.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4,5-diacetyloxy-2-[(9H-fluoren-9-ylmethoxycarbonylamino)oxymethyl]oxolan-3-yl] acetate is sourced from PubChem (CID 101019320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).