[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid

C102H256O150P50 — CID 140627932

IUPAC[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C102H256O150P50/c1-3-54(254(106,107)108)5-56(256(112,113)114)7-58(258(118,119)120)9-60(260(124,125)126)11-62(262(130,131)132)13-64(264(136,137)138)15-66(266(142,143)144)17-68(268(148,149)150)19-70(270(154,155)156)21-72(272(160,161)162)23-74(274(166,167)168)25-76(276(172,173)174)27-78(278(178,179)180)29-80(280(184,185)186)31-82(282(190,191)192)33-84(284(196,197)198)35-86(286(202,203)204)37-88(288(208,209)210)39-90(290(214,215)216)41-92(292(220,221)222)43-94(294(226,227)228)45-96(296(232,233)234)47-98(298(238,239)240)49-100(300(244,245)246)51-102(302(250,251)252)52-101(301(247,248)249)50-99(299(241,242)243)48-97(297(235,236)237)46-95(295(229,230)231)44-93(293(223,224)225)42-91(291(217,218)219)40-89(289(211,212)213)38-87(287(205,206)207)36-85(285(199,200)201)34-83(283(193,194)195)32-81(281(187,188)189)30-79(279(181,182)183)28-77(277(175,176)177)26-75(275(169,170)171)24-73(273(163,164)165)22-71(271(157,158)159)20-69(269(151,152)153)18-67(267(145,146)147)16-65(265(139,140)141)14-63(263(133,134)135)12-61(261(127,128)129)10-59(259(121,122)123)8-57(257(115,116)117)6-55(255(109,110)111)4-53(2)253(103,104)105/h53-102H,3-52H2,1-2H3,(H2,103,104,105)(H2,106,107,108)(H2,109,110,111)(H2,112,113,114)(H2,115,116,117)(H2,118,119,120)(H2,121,122,123)(H2,124,125,126)(H2,127,128,129)(H2,130,131,132)(H2,133,134,135)(H2,136,137,138)(H2,139,140,141)(H2,142,143,144)(H2,145,146,147)(H2,148,149,150)(H2,151,152,153)(H2,154,155,156)(H2,157,158,159)(H2,160,161,162)(H2,163,164,165)(H2,166,167,168)(H2,169,170,171)(H2,172,173,174)(H2,175,176,177)(H2,178,179,180)(H2,181,182,183)(H2,184,185,186)(H2,187,188,189)(H2,190,191,192)(H2,193,194,195)(H2,196,197,198)(H2,199,200,201)(H2,202,203,204)(H2,205,206,207)(H2,208,209,210)(H2,211,212,213)(H2,214,215,216)(H2,217,218,219)(H2,220,221,222)(H2,223,224,225)(H2,226,227,228)(H2,229,230,231)(H2,232,233,234)(H2,235,236,237)(H2,238,239,240)(H2,241,242,243)(H2,244,245,246)(H2,247,248,249)(H2,250,251,252)
InChIKeyFOXUWQMSANBYKK-UHFFFAOYSA-N
MW5431.72 g/mol
LogP-2.15
Rot. Bonds149

About [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid

[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid (PubChem CID 140627932) has the molecular formula C102H256O150P50 and a molecular weight of 5431.72 g/mol. Its IUPAC name is [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid.

Molecular Properties

Compound Name[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
PubChem CID140627932
Molecular FormulaC102H256O150P50
Molecular Weight5431.72 g/mol
Exact Mass5429.93
IUPAC Name[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C102H256O150P50/c1-3-54(254(106,107)108)5-56(256(112,113)114)7-58(258(118,119)120)9-60(260(124,125)126)11-62(262(130,131)132)13-64(264(136,137)138)15-66(266(142,143)144)17-68(268(148,149)150)19-70(270(154,155)156)21-72(272(160,161)162)23-74(274(166,167)168)25-76(276(172,173)174)27-78(278(178,179)180)29-80(280(184,185)186)31-82(282(190,191)192)33-84(284(196,197)198)35-86(286(202,203)204)37-88(288(208,209)210)39-90(290(214,215)216)41-92(292(220,221)222)43-94(294(226,227)228)45-96(296(232,233)234)47-98(298(238,239)240)49-100(300(244,245)246)51-102(302(250,251)252)52-101(301(247,248)249)50-99(299(241,242)243)48-97(297(235,236)237)46-95(295(229,230)231)44-93(293(223,224)225)42-91(291(217,218)219)40-89(289(211,212)213)38-87(287(205,206)207)36-85(285(199,200)201)34-83(283(193,194)195)32-81(281(187,188)189)30-79(279(181,182)183)28-77(277(175,176)177)26-75(275(169,170)171)24-73(273(163,164)165)22-71(271(157,158)159)20-69(269(151,152)153)18-67(267(145,146)147)16-65(265(139,140)141)14-63(263(133,134)135)12-61(261(127,128)129)10-59(259(121,122)123)8-57(257(115,116)117)6-55(255(109,110)111)4-53(2)253(103,104)105/h53-102H,3-52H2,1-2H3,(H2,103,104,105)(H2,106,107,108)(H2,109,110,111)(H2,112,113,114)(H2,115,116,117)(H2,118,119,120)(H2,121,122,123)(H2,124,125,126)(H2,127,128,129)(H2,130,131,132)(H2,133,134,135)(H2,136,137,138)(H2,139,140,141)(H2,142,143,144)(H2,145,146,147)(H2,148,149,150)(H2,151,152,153)(H2,154,155,156)(H2,157,158,159)(H2,160,161,162)(H2,163,164,165)(H2,166,167,168)(H2,169,170,171)(H2,172,173,174)(H2,175,176,177)(H2,178,179,180)(H2,181,182,183)(H2,184,185,186)(H2,187,188,189)(H2,190,191,192)(H2,193,194,195)(H2,196,197,198)(H2,199,200,201)(H2,202,203,204)(H2,205,206,207)(H2,208,209,210)(H2,211,212,213)(H2,214,215,216)(H2,217,218,219)(H2,220,221,222)(H2,223,224,225)(H2,226,227,228)(H2,229,230,231)(H2,232,233,234)(H2,235,236,237)(H2,238,239,240)(H2,241,242,243)(H2,244,245,246)(H2,247,248,249)(H2,250,251,252)
InChIKeyFOXUWQMSANBYKK-UHFFFAOYSA-N
XLogP-2.15
TPSA2876.50 Ų
H-Bond Donors100
H-Bond Acceptors50
Rotatable Bonds149
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005431.72
LogP ≤ 5-2.15
H-Bond Donors ≤ 5100
H-Bond Acceptors ≤ 1050

Analyze [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethoxy)-4-phosphono-2-(2-phosphonobutyl)heptanoic acid
CID 59112421
butan-2-ylphosphonic acid;phosphonoformic acid
CID 159567547
[5-phosphono-4-(phosphonomethyl)pentan-2-yl]phosphonic acid
CID 130302922
(5-hydroxy-8-phosphonooctan-3-yl)phosphonic acid
CID 54204000
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
1,1,5,5-tetraphosphonopentan-3-ylphosphonic acid
CID 137460063
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
nonan-3-ylphosphonic acid
CID 151472369
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
3-phosphonopentane-1,1,1-tricarboxylic acid
CID 88804997

Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid?
The IUPAC name of [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid (CID 140627932) is [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid.
What is the SMILES notation for [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid?
The canonical SMILES for [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid is CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid?
The InChIKey is FOXUWQMSANBYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H256O150P50/c1-3-54(254(106,107)108)5-56(256(112,113)114)7-58(258(118,119)120)9-60(260(124,125)126)11-62(262(130,131)132)13-64(264(136,137)138)15-66(266(142,143)144)17-68(268(148,149)150)19-70(270(154,155)156)21-72(272(160,161)162)23-74(274(166,167)168)25-76(276(172,173)174)27-78(278(178,179)180)29-80(280(184,185)186)31-82(282(190,191)192)33-84(284(196,197)198)35-86(286(202,203)204)37-88(288(208,209)210)39-90(290(214,215)216)41-92(292(220,221)222)43-94(294(226,227)228)45-96(296(232,233)234)47-98(298(238,239)240)49-100(300(244,245)246)51-102(302(250,251)252)52-101(301(247,248)249)50-99(299(241,242)243)48-97(297(235,236)237)46-95(295(229,230)231)44-93(293(223,224)225)42-91(291(217,218)219)40-89(289(211,212)213)38-87(287(205,206)207)36-85(285(199,200)201)34-83(283(193,194)195)32-81(281(187,188)189)30-79(279(181,182)183)28-77(277(175,176)177)26-75(275(169,170)171)24-73(273(163,164)165)22-71(271(157,158)159)20-69(269(151,152)153)18-67(267(145,146)147)16-65(265(139,140)141)14-63(263(133,134)135)12-61(261(127,128)129)10-59(259(121,122)123)8-57(257(115,116)117)6-55(255(109,110)111)4-53(2)253(103,104)105/h53-102H,3-52H2,1-2H3,(H2,103,104,105)(H2,106,107,108)(H2,109,110,111)(H2,112,113,114)(H2,115,116,117)(H2,118,119,120)(H2,121,122,123)(H2,124,125,126)(H2,127,128,129)(H2,130,131,132)(H2,133,134,135)(H2,136,137,138)(H2,139,140,141)(H2,142,143,144)(H2,145,146,147)(H2,148,149,150)(H2,151,152,153)(H2,154,155,156)(H2,157,158,159)(H2,160,161,162)(H2,163,164,165)(H2,166,167,168)(H2,169,170,171)(H2,172,173,174)(H2,175,176,177)(H2,178,179,180)(H2,181,182,183)(H2,184,185,186)(H2,187,188,189)(H2,190,191,192)(H2,193,194,195)(H2,196,197,198)(H2,199,200,201)(H2,202,203,204)(H2,205,206,207)(H2,208,209,210)(H2,211,212,213)(H2,214,215,216)(H2,217,218,219)(H2,220,221,222)(H2,223,224,225)(H2,226,227,228)(H2,229,230,231)(H2,232,233,234)(H2,235,236,237)(H2,238,239,240)(H2,241,242,243)(H2,244,245,246)(H2,247,248,249)(H2,250,251,252).
What are the key properties of [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid?
[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid has a molecular weight of 5431.72 g/mol, XLogP of -2.15, 149 rotatable bonds, 100 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid is sourced from PubChem (CID 140627932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).