[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate

C74H80O13P2Si2 — CID 101227246

IUPAC[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate
SMILESCC(C)[Si]1(C(C)C)O[C@@H]2[C@@H](OP(=O)(OCC3c4ccccc4-c4ccccc43)OCC3c4ccccc4-c4ccccc43)[C@H](OP(=O)(OCC3c4ccccc4-c4ccccc43)OCC3c4ccccc4-c4ccccc43)[C@@H](O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C74H80O13P2Si2/c1-45(2)90(46(3)4)85-72-70(76)69(75)71(83-88(77,79-41-65-57-33-17-9-25-49(57)50-26-10-18-34-58(50)65)80-42-66-59-35-19-11-27-51(59)52-28-12-20-36-60(52)66)73(74(72)86-91(87-90,47(5)6)48(7)8)84-89(78,81-43-67-61-37-21-13-29-53(61)54-30-14-22-38-62(54)67)82-44-68-63-39-23-15-31-55(63)56-32-16-24-40-64(56)68/h9-40,45-48,65-76H,41-44H2,1-8H3/t69-,70+,71+,72+,73-,74-/m0/s1
InChIKeyLZWSWBLKXUWCAM-HVQAZMFQSA-N
MW1295.56 g/mol
LogP17.35
Rot. Bonds20

About [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate

[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate (PubChem CID 101227246) has the molecular formula C74H80O13P2Si2 and a molecular weight of 1295.56 g/mol. Its IUPAC name is [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate.

Molecular Properties

Compound Name[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate
PubChem CID101227246
Molecular FormulaC74H80O13P2Si2
Molecular Weight1295.56 g/mol
Exact Mass1294.46
IUPAC Name[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate
SMILESCC(C)[Si]1(C(C)C)O[C@@H]2[C@@H](OP(=O)(OCC3c4ccccc4-c4ccccc43)OCC3c4ccccc4-c4ccccc43)[C@H](OP(=O)(OCC3c4ccccc4-c4ccccc43)OCC3c4ccccc4-c4ccccc43)[C@@H](O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C74H80O13P2Si2/c1-45(2)90(46(3)4)85-72-70(76)69(75)71(83-88(77,79-41-65-57-33-17-9-25-49(57)50-26-10-18-34-58(50)65)80-42-66-59-35-19-11-27-51(59)52-28-12-20-36-60(52)66)73(74(72)86-91(87-90,47(5)6)48(7)8)84-89(78,81-43-67-61-37-21-13-29-53(61)54-30-14-22-38-62(54)67)82-44-68-63-39-23-15-31-55(63)56-32-16-24-40-64(56)68/h9-40,45-48,65-76H,41-44H2,1-8H3/t69-,70+,71+,72+,73-,74-/m0/s1
InChIKeyLZWSWBLKXUWCAM-HVQAZMFQSA-N
XLogP17.35
TPSA157.67 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.56
LogP ≤ 517.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate with MolForge

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Related Compounds

N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
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9H-fluoren-9-ylmethyl methyl hydrogen phosphate
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1-(9H-fluoren-9-ylmethoxy)ethanol
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2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
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CID 70953072
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate?
The IUPAC name of [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate (CID 101227246) is [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate.
What is the SMILES notation for [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate?
The canonical SMILES for [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate is CC(C)[Si]1(C(C)C)O[C@@H]2[C@@H](OP(=O)(OCC3c4ccccc4-c4ccccc43)OCC3c4ccccc4-c4ccccc43)[C@H](OP(=O)(OCC3c4ccccc4-c4ccccc43)OCC3c4ccccc4-c4ccccc43)[C@@H](O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate?
The InChIKey is LZWSWBLKXUWCAM-HVQAZMFQSA-N. The full InChI is InChI=1S/C74H80O13P2Si2/c1-45(2)90(46(3)4)85-72-70(76)69(75)71(83-88(77,79-41-65-57-33-17-9-25-49(57)50-26-10-18-34-58(50)65)80-42-66-59-35-19-11-27-51(59)52-28-12-20-36-60(52)66)73(74(72)86-91(87-90,47(5)6)48(7)8)84-89(78,81-43-67-61-37-21-13-29-53(61)54-30-14-22-38-62(54)67)82-44-68-63-39-23-15-31-55(63)56-32-16-24-40-64(56)68/h9-40,45-48,65-76H,41-44H2,1-8H3/t69-,70+,71+,72+,73-,74-/m0/s1.
What are the key properties of [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate?
[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate has a molecular weight of 1295.56 g/mol, XLogP of 17.35, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate is sourced from PubChem (CID 101227246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).