methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

C128H182Br2N14O26P2Si4 — CID 165097081

IUPACmethyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESCOC(=O)[C@H](CCCC/N=c1\nc(N(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)c2ccc(Br)cc2)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)[C@H](CCCC/N=c1\nc(N(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)c2ccc(Br)cc2)ccn1[C@@H]1O[C@H](COP(OCCC#N)OCCC#N)[C@@H](OP(OCCC#N)OCCC#N)[C@H]1OCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C70H98BrN9O15P2Si2.C58H84BrN5O11Si2/c1-48(2)98(49(3)4,50(5)6)92-46-80(66(81)54-29-31-55(71)32-30-54)63-33-39-79(69(78-63)76-38-19-18-28-61(68(82)84-13)77-70(83)85-44-60-58-26-16-14-24-56(58)57-25-15-17-27-59(57)60)67-65(86-47-93-99(51(7)8,52(9)10)53(11)12)64(95-97(89-42-22-36-74)90-43-23-37-75)62(94-67)45-91-96(87-40-20-34-72)88-41-21-35-73;1-36(2)76(37(3)4,38(5)6)73-34-64(54(67)42-25-27-43(59)28-26-42)51-29-31-63(55-53(52(66)50(32-65)75-55)72-35-74-77(39(7)8,40(9)10)41(11)12)57(62-51)60-30-19-18-24-49(56(68)70-13)61-58(69)71-33-48-46-22-16-14-20-44(46)45-21-15-17-23-47(45)48/h14-17,24-27,29-33,39,48-53,60-62,64-65,67H,18-23,28,38,40-47H2,1-13H3,(H,77,83);14-17,20-23,25-29,31,36-41,48-50,52-53,55,65-66H,18-19,24,30,32-35H2,1-13H3,(H,61,69)/b76-69+;60-57+/t61-,62+,64+,65+,67+;49-,50+,52+,53+,55+/m00/s1
InChIKeyXROSINFIONUMNO-WVOCCHPJSA-N
MW2667.04 g/mol
LogP26.98
Rot. Bonds68

About methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (PubChem CID 165097081) has the molecular formula C128H182Br2N14O26P2Si4 and a molecular weight of 2667.04 g/mol. Its IUPAC name is methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
PubChem CID165097081
Molecular FormulaC128H182Br2N14O26P2Si4
Molecular Weight2667.04 g/mol
Exact Mass2663.03
IUPAC Namemethyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESCOC(=O)[C@H](CCCC/N=c1\nc(N(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)c2ccc(Br)cc2)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)[C@H](CCCC/N=c1\nc(N(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)c2ccc(Br)cc2)ccn1[C@@H]1O[C@H](COP(OCCC#N)OCCC#N)[C@@H](OP(OCCC#N)OCCC#N)[C@H]1OCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C70H98BrN9O15P2Si2.C58H84BrN5O11Si2/c1-48(2)98(49(3)4,50(5)6)92-46-80(66(81)54-29-31-55(71)32-30-54)63-33-39-79(69(78-63)76-38-19-18-28-61(68(82)84-13)77-70(83)85-44-60-58-26-16-14-24-56(58)57-25-15-17-27-59(57)60)67-65(86-47-93-99(51(7)8,52(9)10)53(11)12)64(95-97(89-42-22-36-74)90-43-23-37-75)62(94-67)45-91-96(87-40-20-34-72)88-41-21-35-73;1-36(2)76(37(3)4,38(5)6)73-34-64(54(67)42-25-27-43(59)28-26-42)51-29-31-63(55-53(52(66)50(32-65)75-55)72-35-74-77(39(7)8,40(9)10)41(11)12)57(62-51)60-30-19-18-24-49(56(68)70-13)61-58(69)71-33-48-46-22-16-14-20-44(46)45-21-15-17-23-47(45)48/h14-17,24-27,29-33,39,48-53,60-62,64-65,67H,18-23,28,38,40-47H2,1-13H3,(H,77,83);14-17,20-23,25-29,31,36-41,48-50,52-53,55,65-66H,18-19,24,30,32-35H2,1-13H3,(H,61,69)/b76-69+;60-57+/t61-,62+,64+,65+,67+;49-,50+,52+,53+,55+/m00/s1
InChIKeyXROSINFIONUMNO-WVOCCHPJSA-N
XLogP26.98
TPSA495.08 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds68
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002667.04
LogP ≤ 526.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate with MolForge

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Related Compounds

methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphoryloxy]-5-[bis(2-cyanoethoxy)phosphoryloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 162346536
N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 163732532
9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate
CID 124922896
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(hydroxyamino)hexanoate
CID 138961408
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70952791
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-nitrobenzoyl)amino]hexanoate
CID 59015249
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 25146063
methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 167321881
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-formylbenzoyl)amino]hexanoate
CID 88902842
9H-fluoren-9-ylmethyl N-[(4S)-5-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-5-oxo-4-[[2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]amino]pentyl]carbamate
CID 53325178

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The IUPAC name of methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (CID 165097081) is methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The canonical SMILES for methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is COC(=O)[C@H](CCCC/N=c1\nc(N(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)c2ccc(Br)cc2)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)[C@H](CCCC/N=c1\nc(N(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)c2ccc(Br)cc2)ccn1[C@@H]1O[C@H](COP(OCCC#N)OCCC#N)[C@@H](OP(OCCC#N)OCCC#N)[C@H]1OCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The InChIKey is XROSINFIONUMNO-WVOCCHPJSA-N. The full InChI is InChI=1S/C70H98BrN9O15P2Si2.C58H84BrN5O11Si2/c1-48(2)98(49(3)4,50(5)6)92-46-80(66(81)54-29-31-55(71)32-30-54)63-33-39-79(69(78-63)76-38-19-18-28-61(68(82)84-13)77-70(83)85-44-60-58-26-16-14-24-56(58)57-25-15-17-27-59(57)60)67-65(86-47-93-99(51(7)8,52(9)10)53(11)12)64(95-97(89-42-22-36-74)90-43-23-37-75)62(94-67)45-91-96(87-40-20-34-72)88-41-21-35-73;1-36(2)76(37(3)4,38(5)6)73-34-64(54(67)42-25-27-43(59)28-26-42)51-29-31-63(55-53(52(66)50(32-65)75-55)72-35-74-77(39(7)8,40(9)10)41(11)12)57(62-51)60-30-19-18-24-49(56(68)70-13)61-58(69)71-33-48-46-22-16-14-20-44(46)45-21-15-17-23-47(45)48/h14-17,24-27,29-33,39,48-53,60-62,64-65,67H,18-23,28,38,40-47H2,1-13H3,(H,77,83);14-17,20-23,25-29,31,36-41,48-50,52-53,55,65-66H,18-19,24,30,32-35H2,1-13H3,(H,61,69)/b76-69+;60-57+/t61-,62+,64+,65+,67+;49-,50+,52+,53+,55+/m00/s1.
What are the key properties of methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate has a molecular weight of 2667.04 g/mol, XLogP of 26.98, 68 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-6-[[1-[(2R,3R,4R,5R)-4-[bis(2-cyanoethoxy)phosphanyloxy]-5-[bis(2-cyanoethoxy)phosphanyloxymethyl]-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;methyl (2S)-6-[[4-[(4-bromobenzoyl)-[tri(propan-2-yl)silyloxymethyl]amino]-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]pyrimidin-2-ylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 165097081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).