9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate

C27H31NO8 — CID 67617703

IUPAC9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]2(O)NC(=O)OCC2c3ccccc3-c3ccccc32)O1
InChIInChI=1S/C27H31NO8/c1-25(2)32-14-20(34-25)21-27(30,22-23(33-21)36-26(3,4)35-22)28-24(29)31-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-23,30H,13-14H2,1-4H3,(H,28,29)/t20-,21-,22+,23-,27+/m1/s1
InChIKeyUUHBYZUZVYESPU-YWZYQIPGSA-N
MW497.54 g/mol
LogP3.24
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate (PubChem CID 67617703) has the molecular formula C27H31NO8 and a molecular weight of 497.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate
PubChem CID67617703
Molecular FormulaC27H31NO8
Molecular Weight497.54 g/mol
Exact Mass497.20
IUPAC Name9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]2(O)NC(=O)OCC2c3ccccc3-c3ccccc32)O1
InChIInChI=1S/C27H31NO8/c1-25(2)32-14-20(34-25)21-27(30,22-23(33-21)36-26(3,4)35-22)28-24(29)31-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-23,30H,13-14H2,1-4H3,(H,28,29)/t20-,21-,22+,23-,27+/m1/s1
InChIKeyUUHBYZUZVYESPU-YWZYQIPGSA-N
XLogP3.24
TPSA104.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate with MolForge

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Related Compounds

[(3S,5S)-2-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,2-oxazolidin-5-yl] acetate
CID 101430942
9H-fluoren-9-ylmethyl (1R,2R,6R,8R,9R)-4,4-dimethyl-15-oxo-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecane-10-carboxylate
CID 16667541
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638
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
(2S)-5-[[(2S)-2-[(3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethyloxetan-3-yl]-2-hydroxyethyl]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxopentanoic acid
CID 172529663
prop-2-enyl 5-[[5-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 176836980
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
(3aR,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,6-diol;ethane
CID 156870351
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
prop-2-enyl (8S)-8-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-hydroxy-5-oxooctanoate
CID 158649472
9H-fluoren-9-ylmethyl (3S)-3-acetyl-6,6-dimethyl-1,5,2-dioxazinane-2-carboxylate
CID 138965947
3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167718744

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate (CID 67617703) is 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate is CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]2(O)NC(=O)OCC2c3ccccc3-c3ccccc32)O1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate?
The InChIKey is UUHBYZUZVYESPU-YWZYQIPGSA-N. The full InChI is InChI=1S/C27H31NO8/c1-25(2)32-14-20(34-25)21-27(30,22-23(33-21)36-26(3,4)35-22)28-24(29)31-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-23,30H,13-14H2,1-4H3,(H,28,29)/t20-,21-,22+,23-,27+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate has a molecular weight of 497.54 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate is sourced from PubChem (CID 67617703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).