9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate

C24H27NO7 — CID 59073402

IUPAC9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
SMILESCC1(C)O[C@@H]2O[C@@H]([C@@H](O)CO)C(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O1
InChIInChI=1S/C24H27NO7/c1-24(2)31-21-19(20(18(27)11-26)30-22(21)32-24)25-23(28)29-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-22,26-27H,11-12H2,1-2H3,(H,25,28)/t18-,19?,20-,21-,22-/m0/s1
InChIKeyKFWDIBWGGHOKSN-USSJPZKSSA-N
MW441.48 g/mol
LogP2.12
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate (PubChem CID 59073402) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
PubChem CID59073402
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
SMILESCC1(C)O[C@@H]2O[C@@H]([C@@H](O)CO)C(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O1
InChIInChI=1S/C24H27NO7/c1-24(2)31-21-19(20(18(27)11-26)30-22(21)32-24)25-23(28)29-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-22,26-27H,11-12H2,1-2H3,(H,25,28)/t18-,19?,20-,21-,22-/m0/s1
InChIKeyKFWDIBWGGHOKSN-USSJPZKSSA-N
XLogP2.12
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (3aR,4R,6aS)-4-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 10646050
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propanoate
CID 118606163
[(5R,6R)-5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate
CID 22831834
[(3aS,5R,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate
CID 51441818
N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide
CID 25267494
ethyl (3R)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 42645160
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
[6-[[(3aS,5S,6S)-5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 59701745
benzyl N-[(1S,2S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dihydroxypropan-2-yl]carbamate
CID 11326560
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 N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
methyl 2-[(3aR,5S,6aR)-5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 122606314

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate (CID 59073402) is 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate is CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CO)C(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
The InChIKey is KFWDIBWGGHOKSN-USSJPZKSSA-N. The full InChI is InChI=1S/C24H27NO7/c1-24(2)31-21-19(20(18(27)11-26)30-22(21)32-24)25-23(28)29-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-22,26-27H,11-12H2,1-2H3,(H,25,28)/t18-,19?,20-,21-,22-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate has a molecular weight of 441.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate is sourced from PubChem (CID 59073402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).