CID 158984408

C309H404B16F2N24O104 — CID 158984408

IUPAC—
SMILESC.C.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](C)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1F.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4F)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4O)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4O)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.[B].[B]B([B])B([B])[B].[B]B([B])[B].[B][B].[B][B][B]
InChIInChI=1S/C50H62FN3O13.2C50H63N3O14.C40H53N3O16.C39H51FN4O15.2C39H52N4O16.2CH4.B6.B4.B3.B2.B/c1-7-36-29(4)28(3)30(5)46(61-36)67-47-39-43(66-50(58)54(39)6)42-37(62-47)23-27(2)45(65-42)64-41-35(53-49(57)60-26-32-19-13-9-14-20-32)24-34(52-48(56)59-25-31-17-11-8-12-18-31)40(38(41)51)63-44(55)33-21-15-10-16-22-33;2*1-7-36-29(4)28(3)30(5)46(61-36)67-47-38-43(66-50(58)53(38)6)42-37(62-47)23-27(2)45(65-42)64-41-35(52-49(57)60-26-32-19-13-9-14-20-32)24-34(51-48(56)59-25-31-17-11-8-12-18-31)40(39(41)54)63-44(55)33-21-15-10-16-22-33;1-19-14-25-33(34-27(43(3)40(51)58-34)36(54-25)59-37-31(48)28(45)20(2)26(16-44)55-37)57-35(19)56-32-24(42-39(50)53-18-22-12-8-5-9-13-22)15-23(29(46)30(32)47)41-38(49)52-17-21-10-6-4-7-11-21;1-18-13-23-32(33-27(44(2)39(51)58-33)35(54-23)59-36-30(48)29(47)26(41)24(15-45)55-36)57-34(18)56-31-22(43-38(50)53-17-20-11-7-4-8-12-20)14-21(28(46)25(31)40)42-37(49)52-16-19-9-5-3-6-10-19;2*1-18-13-23-32(33-26(43(2)39(51)58-33)35(54-23)59-36-30(48)28(46)25(40)24(15-44)55-36)57-34(18)56-31-22(42-38(50)53-17-20-11-7-4-8-12-20)14-21(27(45)29(31)47)41-37(49)52-16-19-9-5-3-6-10-19;;;1-5(2)6(3)4;1-4(2)3;1-3-2;1-2;/h8-22,27-30,34-43,45-47H,7,23-26H2,1-6H3,(H,52,56)(H,53,57);2*8-22,27-30,34-43,45-47,54H,7,23-26H2,1-6H3,(H,51,56)(H,52,57);4-13,19-20,23-37,44-48H,14-18H2,1-3H3,(H,41,49)(H,42,50);3-12,18,21-36,45-48H,13-17,41H2,1-2H3,(H,42,49)(H,43,50);2*3-12,18,21-36,44-48H,13-17,40H2,1-2H3,(H,41,49)(H,42,50);2*1H4;;;;;/t27?,28-,29-,30?,34+,35?,36?,37-,38+,39?,40?,41+,42?,43?,45-,46+,47?;2*27?,28-,29-,30?,34+,35?,36?,37-,38?,39+,40?,41+,42?,43?,45-,46+,47?;19?,20-,23-,24?,25+,26?,27?,28+,29?,30-,31?,32-,33?,34?,35+,36?,37-;18?,21-,22?,23+,24?,25-,26-,27?,28?,29+,30?,31-,32?,33?,34+,35?,36-;2*18?,21-,22?,23+,24?,25-,26?,27?,28+,29-,30?,31-,32?,33?,34+,35?,36-;;;;;;;/m0001111......./s1
InChIKeyPAEAOHGFLRYXNO-CAQHZYIMSA-N
MW6329.68 g/mol
LogP14.02
Rot. Bonds84

About CID 158984408

CID 158984408 (PubChem CID 158984408) has the molecular formula C309H404B16F2N24O104 and a molecular weight of 6329.68 g/mol.

Molecular Properties

Compound NameCID 158984408
PubChem CID158984408
Molecular FormulaC309H404B16F2N24O104
Molecular Weight6329.68 g/mol
Exact Mass6328.85
IUPAC Name—
SMILESC.C.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](C)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1F.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4F)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4O)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4O)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.[B].[B]B([B])B([B])[B].[B]B([B])[B].[B][B].[B][B][B]
InChIInChI=1S/C50H62FN3O13.2C50H63N3O14.C40H53N3O16.C39H51FN4O15.2C39H52N4O16.2CH4.B6.B4.B3.B2.B/c1-7-36-29(4)28(3)30(5)46(61-36)67-47-39-43(66-50(58)54(39)6)42-37(62-47)23-27(2)45(65-42)64-41-35(53-49(57)60-26-32-19-13-9-14-20-32)24-34(52-48(56)59-25-31-17-11-8-12-18-31)40(38(41)51)63-44(55)33-21-15-10-16-22-33;2*1-7-36-29(4)28(3)30(5)46(61-36)67-47-38-43(66-50(58)53(38)6)42-37(62-47)23-27(2)45(65-42)64-41-35(52-49(57)60-26-32-19-13-9-14-20-32)24-34(51-48(56)59-25-31-17-11-8-12-18-31)40(39(41)54)63-44(55)33-21-15-10-16-22-33;1-19-14-25-33(34-27(43(3)40(51)58-34)36(54-25)59-37-31(48)28(45)20(2)26(16-44)55-37)57-35(19)56-32-24(42-39(50)53-18-22-12-8-5-9-13-22)15-23(29(46)30(32)47)41-38(49)52-17-21-10-6-4-7-11-21;1-18-13-23-32(33-27(44(2)39(51)58-33)35(54-23)59-36-30(48)29(47)26(41)24(15-45)55-36)57-34(18)56-31-22(43-38(50)53-17-20-11-7-4-8-12-20)14-21(28(46)25(31)40)42-37(49)52-16-19-9-5-3-6-10-19;2*1-18-13-23-32(33-26(43(2)39(51)58-33)35(54-23)59-36-30(48)28(46)25(40)24(15-44)55-36)57-34(18)56-31-22(42-38(50)53-17-20-11-7-4-8-12-20)14-21(27(45)29(31)47)41-37(49)52-16-19-9-5-3-6-10-19;;;1-5(2)6(3)4;1-4(2)3;1-3-2;1-2;/h8-22,27-30,34-43,45-47H,7,23-26H2,1-6H3,(H,52,56)(H,53,57);2*8-22,27-30,34-43,45-47,54H,7,23-26H2,1-6H3,(H,51,56)(H,52,57);4-13,19-20,23-37,44-48H,14-18H2,1-3H3,(H,41,49)(H,42,50);3-12,18,21-36,45-48H,13-17,41H2,1-2H3,(H,42,49)(H,43,50);2*3-12,18,21-36,44-48H,13-17,40H2,1-2H3,(H,41,49)(H,42,50);2*1H4;;;;;/t27?,28-,29-,30?,34+,35?,36?,37-,38+,39?,40?,41+,42?,43?,45-,46+,47?;2*27?,28-,29-,30?,34+,35?,36?,37-,38?,39+,40?,41+,42?,43?,45-,46+,47?;19?,20-,23-,24?,25+,26?,27?,28+,29?,30-,31?,32-,33?,34?,35+,36?,37-;18?,21-,22?,23+,24?,25-,26-,27?,28?,29+,30?,31-,32?,33?,34+,35?,36-;2*18?,21-,22?,23+,24?,25-,26?,27?,28+,29-,30?,31-,32?,33?,34+,35?,36-;;;;;;;/m0001111......./s1
InChIKeyPAEAOHGFLRYXNO-CAQHZYIMSA-N
XLogP14.02
TPSA1648.24 Ų
H-Bond Donors38
H-Bond Acceptors107
Rotatable Bonds84
Heavy Atoms455
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006329.68
LogP ≤ 514.02
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 10107

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Related Compounds

(6R,8aS)-7-amino-2-[(2R,5S)-5-amino-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R,2R,4R)-4,6-diamino-2-fluoro-3-hydroxycyclohexyl]oxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol;[(2S,3R,6R)-3-[[(9S,12R)-7-[(2R,5S)-6-ethyl-3,5-dimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-2-fluoro-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl] benzoate;methane
CID 161079467
benzyl N-[(1R,3R,4R)-4-[[(9S,12S)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 157164562
benzyl N-[(1R,3R,4R)-4-[[(9S,12S)-7-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3-hydroxy-2,5-dimethylcyclohexyl]carbamate
CID 160725738
benzyl N-[(1R,3R,4R)-2-azido-4-[[(9S,12R)-7-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3-fluoro-5-methylcyclohexyl]carbamate
CID 159092620
benzyl N-[(1R,2R,4R)-5-amino-4-[[(9S,11S,12S)-7-[(2R,4S,5S)-5-amino-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-methyl-4-oxo-11-(phenylmethoxycarbonylamino)-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-2,3-dihydroxycyclohexyl]carbamate
CID 126541535
CID 157193528
CID 157193528
CID 157193527
CID 157193527
[(1S,2R,5S)-5-[[(9S,12S)-7-[(2R,5S)-6-ethyl-3,5-dimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-2,4-bis(phenylmethoxycarbonylamino)cyclohexyl] benzoate
CID 159487320
(2R,4S,5S)-2-[[(6S,8aS)-7-amino-6-[(1R,2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-[(1-aminocyclopentyl)methylamino]-6-(hydroxymethyl)oxane-3,4-diol;benzyl N-[(1R,3R,4R)-4-[[(9S,12S)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-2,3-dihydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamate;methane
CID 160754529
benzyl N-[(1R,2S,4S)-5-amino-4-[[(9S,11S,12S)-7-[(2R,4S,5S)-5-amino-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-methyl-4-oxo-11-(phenylmethoxycarbonylamino)-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-2-hydroxycyclohexyl]carbamate
CID 126541678
(6S,8aS)-7-amino-2-[(2R,5S)-5-amino-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S,4R)-2,4-diamino-5-hydroxycyclohexyl]oxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol;[(2S,3R,6R)-2-chloro-3-[[(9S,12R)-7-[(2R,5S)-6-ethyl-3,5-dimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl] benzoate;[(2R,5S)-5-[[(9S,12S)-7-[(2R,5S)-6-ethyl-3,5-dimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-2,4-bis(phenylmethoxycarbonylamino)cyclohexyl] benzoate;methane
CID 158047632
benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[2-aminoethyl(benzyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-5-[(4-amino-4-iminobutyl)amino]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;benzyl N-[(2R,4R,5S)-5-[[(9S,12R)-7-[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3,4-dihydroxy-6-(phenylmethoxycarbonylamino)oxan-2-yl]carbamate;methane
CID 162092212

Frequently Asked Questions

What is the IUPAC name of CID 158984408?
The IUPAC name of CID 158984408 (CID 158984408) is not available.
What is the SMILES notation for CID 158984408?
The canonical SMILES for CID 158984408 is C.C.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](C)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1F.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CC1C[C@@H]2OC(O[C@H]3OC(CO)[C@@H](N)[C@H](O)C3O)C3C(OC(=O)N3C)C2O[C@@H]1O[C@@H]1C(NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OCc2ccccc2)C(O)[C@H]1O.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4F)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4O)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2O[C@H]3CC(C)[C@@H](O[C@@H]4C(NC(=O)OCc5ccccc5)C[C@@H](NC(=O)OCc5ccccc5)C(OC(=O)c5ccccc5)[C@H]4O)OC3C3OC(=O)N(C)C23)C(C)[C@@H](C)[C@@H]1C.[B].[B]B([B])B([B])[B].[B]B([B])[B].[B][B].[B][B][B].
What is the InChIKey of CID 158984408?
The InChIKey is PAEAOHGFLRYXNO-CAQHZYIMSA-N. The full InChI is InChI=1S/C50H62FN3O13.2C50H63N3O14.C40H53N3O16.C39H51FN4O15.2C39H52N4O16.2CH4.B6.B4.B3.B2.B/c1-7-36-29(4)28(3)30(5)46(61-36)67-47-39-43(66-50(58)54(39)6)42-37(62-47)23-27(2)45(65-42)64-41-35(53-49(57)60-26-32-19-13-9-14-20-32)24-34(52-48(56)59-25-31-17-11-8-12-18-31)40(38(41)51)63-44(55)33-21-15-10-16-22-33;2*1-7-36-29(4)28(3)30(5)46(61-36)67-47-38-43(66-50(58)53(38)6)42-37(62-47)23-27(2)45(65-42)64-41-35(52-49(57)60-26-32-19-13-9-14-20-32)24-34(51-48(56)59-25-31-17-11-8-12-18-31)40(39(41)54)63-44(55)33-21-15-10-16-22-33;1-19-14-25-33(34-27(43(3)40(51)58-34)36(54-25)59-37-31(48)28(45)20(2)26(16-44)55-37)57-35(19)56-32-24(42-39(50)53-18-22-12-8-5-9-13-22)15-23(29(46)30(32)47)41-38(49)52-17-21-10-6-4-7-11-21;1-18-13-23-32(33-27(44(2)39(51)58-33)35(54-23)59-36-30(48)29(47)26(41)24(15-45)55-36)57-34(18)56-31-22(43-38(50)53-17-20-11-7-4-8-12-20)14-21(28(46)25(31)40)42-37(49)52-16-19-9-5-3-6-10-19;2*1-18-13-23-32(33-26(43(2)39(51)58-33)35(54-23)59-36-30(48)28(46)25(40)24(15-44)55-36)57-34(18)56-31-22(42-38(50)53-17-20-11-7-4-8-12-20)14-21(27(45)29(31)47)41-37(49)52-16-19-9-5-3-6-10-19;;;1-5(2)6(3)4;1-4(2)3;1-3-2;1-2;/h8-22,27-30,34-43,45-47H,7,23-26H2,1-6H3,(H,52,56)(H,53,57);2*8-22,27-30,34-43,45-47,54H,7,23-26H2,1-6H3,(H,51,56)(H,52,57);4-13,19-20,23-37,44-48H,14-18H2,1-3H3,(H,41,49)(H,42,50);3-12,18,21-36,45-48H,13-17,41H2,1-2H3,(H,42,49)(H,43,50);2*3-12,18,21-36,44-48H,13-17,40H2,1-2H3,(H,41,49)(H,42,50);2*1H4;;;;;/t27?,28-,29-,30?,34+,35?,36?,37-,38+,39?,40?,41+,42?,43?,45-,46+,47?;2*27?,28-,29-,30?,34+,35?,36?,37-,38?,39+,40?,41+,42?,43?,45-,46+,47?;19?,20-,23-,24?,25+,26?,27?,28+,29?,30-,31?,32-,33?,34?,35+,36?,37-;18?,21-,22?,23+,24?,25-,26-,27?,28?,29+,30?,31-,32?,33?,34+,35?,36-;2*18?,21-,22?,23+,24?,25-,26?,27?,28+,29-,30?,31-,32?,33?,34+,35?,36-;;;;;;;/m0001111......./s1.
What are the key properties of CID 158984408?
CID 158984408 has a molecular weight of 6329.68 g/mol, XLogP of 14.02, 84 rotatable bonds, 38 hydrogen bond donors, and 107 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158984408 is sourced from PubChem (CID 158984408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).