9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate

C23H25NO7 — CID 132574983

IUPAC9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate
SMILESCO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O1
InChIInChI=1S/C23H25NO7/c1-28-19-10-24(22-21(31-19)20(26)18(11-25)30-22)23(27)29-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-22,25-26H,10-12H2,1H3/t18-,19-,20+,21+,22-/m1/s1
InChIKeyZOWYZYPJBBGFHT-LXHROKJGSA-N
MW427.45 g/mol
LogP1.69
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate

9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate (PubChem CID 132574983) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate
PubChem CID132574983
Molecular FormulaC23H25NO7
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC Name9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate
SMILESCO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O1
InChIInChI=1S/C23H25NO7/c1-28-19-10-24(22-21(31-19)20(26)18(11-25)30-22)23(27)29-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-22,25-26H,10-12H2,1H3/t18-,19-,20+,21+,22-/m1/s1
InChIKeyZOWYZYPJBBGFHT-LXHROKJGSA-N
XLogP1.69
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate 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

9H-fluoren-9-ylmethyl 3-hydroxy-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67049085
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
9H-fluoren-9-ylmethyl (3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67441228
9H-fluoren-9-ylmethyl 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67441229
9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]carbamate
CID 67640853
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
(2R,3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 154853066
9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
CID 122456585
9H-fluoren-9-ylmethyl N-acetyl-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 175378756
(2S)-4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 54183247
9H-fluoren-9-ylmethyl (3R,3aR,6R,6aS)-3-hydroxy-6-[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67442705
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate (CID 132574983) is 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate is CO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate?
The InChIKey is ZOWYZYPJBBGFHT-LXHROKJGSA-N. The full InChI is InChI=1S/C23H25NO7/c1-28-19-10-24(22-21(31-19)20(26)18(11-25)30-22)23(27)29-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-22,25-26H,10-12H2,1H3/t18-,19-,20+,21+,22-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate?
9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate has a molecular weight of 427.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R,4aR,6R,7S,7aS)-7-hydroxy-6-(hydroxymethyl)-2-methoxy-2,3,4a,6,7,7a-hexahydrofuro[3,2-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 132574983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).