[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate

C77H92N2O20 — CID 129045301

IUPAC[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate
SMILESC[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](OC(=O)OCC1c3ccccc3-c3ccccc31)[C@H]2N=C=O
InChIInChI=1S/C77H92N2O20/c1-46-25-15-13-11-9-7-5-6-8-10-12-14-16-26-53(97-74-73(89)70(72(88)49(4)96-74)79-75(90)93-43-62-58-31-21-17-27-54(58)55-28-18-22-32-59(55)62)40-66-69(78-45-80)67(98-76(91)94-44-63-60-33-23-19-29-56(60)57-30-20-24-34-61(57)63)42-77(92,99-66)41-52(83)38-65(85)64(84)36-35-50(81)37-51(82)39-68(86)95-48(3)47(2)71(46)87/h5-34,46-53,62-67,69-74,81-85,87-89,92H,35-44H2,1-4H3,(H,79,90)/b6-5+,9-7+,10-8+,13-11+,14-12+,25-15+,26-16+/t46-,47-,48-,49+,50+,51+,52-,53-,64+,65+,66-,67-,69-,70-,71+,72+,73-,74-,77+/m0/s1
InChIKeyJVUUKRCBMXKQPX-GGRKMDGMSA-N
MW1365.58 g/mol
LogP8.27
Rot. Bonds9

About [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate

[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate (PubChem CID 129045301) has the molecular formula C77H92N2O20 and a molecular weight of 1365.58 g/mol. Its IUPAC name is [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Name[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate
PubChem CID129045301
Molecular FormulaC77H92N2O20
Molecular Weight1365.58 g/mol
Exact Mass1364.62
IUPAC Name[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate
SMILESC[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](OC(=O)OCC1c3ccccc3-c3ccccc31)[C@H]2N=C=O
InChIInChI=1S/C77H92N2O20/c1-46-25-15-13-11-9-7-5-6-8-10-12-14-16-26-53(97-74-73(89)70(72(88)49(4)96-74)79-75(90)93-43-62-58-31-21-17-27-54(58)55-28-18-22-32-59(55)62)40-66-69(78-45-80)67(98-76(91)94-44-63-60-33-23-19-29-56(60)57-30-20-24-34-61(57)63)42-77(92,99-66)41-52(83)38-65(85)64(84)36-35-50(81)37-51(82)39-68(86)95-48(3)47(2)71(46)87/h5-34,46-53,62-67,69-74,81-85,87-89,92H,35-44H2,1-4H3,(H,79,90)/b6-5+,9-7+,10-8+,13-11+,14-12+,25-15+,26-16+/t46-,47-,48-,49+,50+,51+,52-,53-,64+,65+,66-,67-,69-,70-,71+,72+,73-,74-,77+/m0/s1
InChIKeyJVUUKRCBMXKQPX-GGRKMDGMSA-N
XLogP8.27
TPSA339.35 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001365.58
LogP ≤ 58.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate with MolForge

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Related Compounds

(1R,3S,5R,6R,9R,11R,15S,16R,17R,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-(prop-2-enoxycarbonylamino)oxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-15,16,18-trimethyl-13-oxo-37-prop-2-enoxycarbonyloxy-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
CID 130189156
9H-fluoren-9-ylmethyl N-[(2R,3S,4S,5S,6R)-2-[[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-36-[(Z)-methoxyiminomethyl]-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-33-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]carbamate
CID 10011553
2-[[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-yl]carbamoylamino]oxyacetic acid;[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-(prop-2-enoxycarbonylamino)oxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] prop-2-enyl carbonate;methyl 2-aminooxyacetate;methyl 2-[[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-(prop-2-enoxycarbonylamino)oxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-15,16,18-trimethyl-13-oxo-37-prop-2-enoxycarbonyloxy-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-yl]carbamoylamino]oxyacetate
CID 158530612
1-[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-yl]-3-[1,3-bis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]propan-2-yl]urea;(2S,3S,4S,5S,6R)-2-[2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-(prop-2-enoxycarbonylamino)oxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] prop-2-enyl carbonate
CID 160738071
[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-(prop-2-enoxycarbonylamino)oxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-15,16,18-trimethyl-13-oxo-36-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbamoylamino]-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] prop-2-enyl carbonate
CID 130198660
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6S)-4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
CID 72707048
(3-oxo-1H-2-benzofuran-1-yl) (1R,3S,5R,6R,9R,11R,17R,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
CID 25184762
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[6-[[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carbonyl]amino]hexyl]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
CID 10920428
1-[(15S,16R,18S,19E,21E,23E,25E,27E,29E,31E,35S,37S)-33-[(3S,4S,6R)-4-(diaminomethylideneamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-yl]-3-methylurea
CID 134462381
(19E,21E,23E,25E,27E,29E,31E)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
CID 178089912
9H-fluoren-9-ylmethyl N-[2-[[36-[2-[2-[[2,3-bis(ethenyl)-1H-inden-1-yl]methoxycarbonylamino]ethoxy]ethylcarbamoyl]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaen-33-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]carbamate
CID 123237799
1-[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-yl]-3-benzylurea
CID 130189213

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate (CID 129045301) is [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate is C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](OC(=O)OCC1c3ccccc3-c3ccccc31)[C@H]2N=C=O.
What is the InChIKey of [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is JVUUKRCBMXKQPX-GGRKMDGMSA-N. The full InChI is InChI=1S/C77H92N2O20/c1-46-25-15-13-11-9-7-5-6-8-10-12-14-16-26-53(97-74-73(89)70(72(88)49(4)96-74)79-75(90)93-43-62-58-31-21-17-27-54(58)55-28-18-22-32-59(55)62)40-66-69(78-45-80)67(98-76(91)94-44-63-60-33-23-19-29-56(60)57-30-20-24-34-61(57)63)42-77(92,99-66)41-52(83)38-65(85)64(84)36-35-50(81)37-51(82)39-68(86)95-48(3)47(2)71(46)87/h5-34,46-53,62-67,69-74,81-85,87-89,92H,35-44H2,1-4H3,(H,79,90)/b6-5+,9-7+,10-8+,13-11+,14-12+,25-15+,26-16+/t46-,47-,48-,49+,50+,51+,52-,53-,64+,65+,66-,67-,69-,70-,71+,72+,73-,74-,77+/m0/s1.
What are the key properties of [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate?
[(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 1365.58 g/mol, XLogP of 8.27, 9 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-33-[(2R,3S,4S,5S,6R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17-heptahydroxy-36-isocyanato-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-37-yl] 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 129045301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).