[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane

C151H293N3O80P10-6 — CID 159679902

IUPAC[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane
SMILESCC.CCOP(=O)(OCCC#N)OCC(COCCCOP(C)(=O)O)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1NC(C)=O)(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C.COCCCOCC(CO)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.[2H]C.[3H]C
InChIInChI=1S/C82H156N2O41P6.C65H129NO39P4.C2H6.2CH4/c1-15-111-131(99,120-46-28-34-83)121-54-74(52-100-35-29-47-112-126(14,89)90)53-101-36-30-48-119-130(97,98)122-61-82(58-102-37-31-49-116-127(91,92)113-43-25-19-16-22-40-105-79-68(8)62(2)64(4)75(123-79)55-108-71(11)86,59-103-38-32-50-117-128(93,94)114-44-26-20-17-23-41-106-80-69(9)63(3)65(5)76(124-80)56-109-72(12)87)60-104-39-33-51-118-129(95,96)115-45-27-21-18-24-42-107-81-78(84-70(10)85)67(7)66(6)77(125-81)57-110-73(13)88;1-48-56(72)58(74)52(39-68)103-62(48)92-28-11-5-8-14-31-95-106(78,79)98-35-19-25-89-44-65(47-102-109(84,85)101-34-18-24-88-43-51(38-67)42-87-23-17-22-86-4,45-90-26-20-36-99-107(80,81)96-32-15-9-6-12-29-93-63-49(2)57(73)59(75)53(40-69)104-63)46-91-27-21-37-100-108(82,83)97-33-16-10-7-13-30-94-64-55(66-50(3)71)61(77)60(76)54(41-70)105-64;1-2;;/h62-69,74-81H,15-33,35-61H2,1-14H3,(H,84,85)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98);48-49,51-64,67-70,72-77H,5-47H2,1-4H3,(H,66,71)(H,78,79)(H,80,81)(H,82,83)(H,84,85);1-2H3;2*1H4/p-6/t62-,63-,64+,65+,66+,67-,68?,69?,74?,75?,76?,77?,78?,79+,80+,81+,82?,131?;48?,49?,51?,52?,53?,54?,55?,56-,57-,58+,59+,60+,61-,62-,63-,64-,65?;;;/m01.../s1/i;;;1T;1D
InChIKeyMVBTYRCZWNHDNI-AEUHQTRESA-H
MW3743.70 g/mol
LogP13.40
Rot. Bonds149

About [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane

[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane (PubChem CID 159679902) has the molecular formula C151H293N3O80P10-6 and a molecular weight of 3743.70 g/mol. Its IUPAC name is [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane.

Molecular Properties

Compound Name[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane
PubChem CID159679902
Molecular FormulaC151H293N3O80P10-6
Molecular Weight3743.70 g/mol
Exact Mass3741.65
IUPAC Name[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane
SMILESCC.CCOP(=O)(OCCC#N)OCC(COCCCOP(C)(=O)O)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1NC(C)=O)(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C.COCCCOCC(CO)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.[2H]C.[3H]C
InChIInChI=1S/C82H156N2O41P6.C65H129NO39P4.C2H6.2CH4/c1-15-111-131(99,120-46-28-34-83)121-54-74(52-100-35-29-47-112-126(14,89)90)53-101-36-30-48-119-130(97,98)122-61-82(58-102-37-31-49-116-127(91,92)113-43-25-19-16-22-40-105-79-68(8)62(2)64(4)75(123-79)55-108-71(11)86,59-103-38-32-50-117-128(93,94)114-44-26-20-17-23-41-106-80-69(9)63(3)65(5)76(124-80)56-109-72(12)87)60-104-39-33-51-118-129(95,96)115-45-27-21-18-24-42-107-81-78(84-70(10)85)67(7)66(6)77(125-81)57-110-73(13)88;1-48-56(72)58(74)52(39-68)103-62(48)92-28-11-5-8-14-31-95-106(78,79)98-35-19-25-89-44-65(47-102-109(84,85)101-34-18-24-88-43-51(38-67)42-87-23-17-22-86-4,45-90-26-20-36-99-107(80,81)96-32-15-9-6-12-29-93-63-49(2)57(73)59(75)53(40-69)104-63)46-91-27-21-37-100-108(82,83)97-33-16-10-7-13-30-94-64-55(66-50(3)71)61(77)60(76)54(41-70)105-64;1-2;;/h62-69,74-81H,15-33,35-61H2,1-14H3,(H,84,85)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98);48-49,51-64,67-70,72-77H,5-47H2,1-4H3,(H,66,71)(H,78,79)(H,80,81)(H,82,83)(H,84,85);1-2H3;2*1H4/p-6/t62-,63-,64+,65+,66+,67-,68?,69?,74?,75?,76?,77?,78?,79+,80+,81+,82?,131?;48?,49?,51?,52?,53?,54?,55?,56-,57-,58+,59+,60+,61-,62-,63-,64-,65?;;;/m01.../s1/i;;;1T;1D
InChIKeyMVBTYRCZWNHDNI-AEUHQTRESA-H
XLogP13.40
TPSA1129.83 Ų
H-Bond Donors15
H-Bond Acceptors78
Rotatable Bonds149
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003743.70
LogP ≤ 513.40
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1078

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane with MolForge

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Related Compounds

[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[1-hydroxy-3-(3-methoxypropoxy)propan-2-yl]oxypropyl hydrogen phosphate
CID 163698127
[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate
CID 147340011
[2-[3-[6-[(1R,3R,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-propan-2-yloxypropoxy)propoxy]propyl hydrogen phosphate
CID 159568483
[(2R)-2-[[[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol
CID 157336934
[(3R,4S,6R)-6-[6-[3-[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-(2-isocyanoethoxy)phosphanyl]oxypropoxymethyl]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-(2-isocyanoethoxy)phosphanyl]oxypropoxymethyl]-3-[2-cyanoethoxy-[[(2R,3S,5S)-3-[2-isocyanoethoxy(methyl)phosphoryl]oxy-5-methyloxolan-2-yl]methoxy]phosphoryl]oxypropoxy]propoxy-(2-isocyanoethoxy)phosphanyl]oxyhexoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate
CID 118402273
2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl 3-[3-[2,2-bis[3-[3-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-(4,4-dimethylpentoxy)propoxy]propoxy-hydroxyphosphoryl]oxypropyl phosphate
CID 170776227
N-[(2R,4R,5R)-2-[4-[3-[2-[3-[4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutoxy-hydroxyphosphinothioyl]oxypropoxymethyl]-2-[3-[3-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypropoxy-hydroxyphosphinothioyl]oxypropoxymethyl]-3-[3-[hydroxy(methoxy)phosphinothioyl]oxypropoxy]propoxy]propoxy-hydroxyphosphinothioyl]oxybutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 160646918
N-[(2R,4R,5R)-2-[4-[3-[2-[3-[4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutoxy-oxidophosphinothioyl]oxypropoxymethyl]-2-[3-[4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutoxy-sulfidophosphoryl]oxypropoxymethyl]-3-[6-[methoxy(oxido)phosphinothioyl]oxyhexoxy]propoxy]propoxy-oxidophosphinothioyl]oxybutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 149231594
[4-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy-[3-[2-[3-[4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutoxy-sulfaniumylphosphoryl]oxypropoxymethyl]-2-[3-[4-[(2R,4S,5R)-4-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]oxybutoxy-sulfaniumylphosphoryl]oxypropoxymethyl]-3-[6-[methoxy(sulfaniumyl)phosphoryl]oxyhexoxy]propoxy]propoxy]phosphoryl]sulfanium
CID 165089524
[1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane
CID 158548599
N-[(2R,4R,5R)-2-[5-[3-[2,2-bis[3-[4-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutoxy-oxidophosphinothioyl]oxypropoxymethyl]-3-[4-[methoxy(oxido)phosphinothioyl]oxybutoxy]propoxy]propoxy-sulfidophosphoryl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 167676506
[(2R,5S)-2-[[[3-[3-[6-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2,2-bis[3-[6-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propoxy]-hydroxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl hydrogen phosphate
CID 121246005

Frequently Asked Questions

What is the IUPAC name of [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane?
The IUPAC name of [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane (CID 159679902) is [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane.
What is the SMILES notation for [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane?
The canonical SMILES for [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane is CC.CCOP(=O)(OCCC#N)OCC(COCCCOP(C)(=O)O)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1NC(C)=O)(COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)COCCCOP(=O)(O)OCCCCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C.COCCCOCC(CO)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.[2H]C.[3H]C.
What is the InChIKey of [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane?
The InChIKey is MVBTYRCZWNHDNI-AEUHQTRESA-H. The full InChI is InChI=1S/C82H156N2O41P6.C65H129NO39P4.C2H6.2CH4/c1-15-111-131(99,120-46-28-34-83)121-54-74(52-100-35-29-47-112-126(14,89)90)53-101-36-30-48-119-130(97,98)122-61-82(58-102-37-31-49-116-127(91,92)113-43-25-19-16-22-40-105-79-68(8)62(2)64(4)75(123-79)55-108-71(11)86,59-103-38-32-50-117-128(93,94)114-44-26-20-17-23-41-106-80-69(9)63(3)65(5)76(124-80)56-109-72(12)87)60-104-39-33-51-118-129(95,96)115-45-27-21-18-24-42-107-81-78(84-70(10)85)67(7)66(6)77(125-81)57-110-73(13)88;1-48-56(72)58(74)52(39-68)103-62(48)92-28-11-5-8-14-31-95-106(78,79)98-35-19-25-89-44-65(47-102-109(84,85)101-34-18-24-88-43-51(38-67)42-87-23-17-22-86-4,45-90-26-20-36-99-107(80,81)96-32-15-9-6-12-29-93-63-49(2)57(73)59(75)53(40-69)104-63)46-91-27-21-37-100-108(82,83)97-33-16-10-7-13-30-94-64-55(66-50(3)71)61(77)60(76)54(41-70)105-64;1-2;;/h62-69,74-81H,15-33,35-61H2,1-14H3,(H,84,85)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98);48-49,51-64,67-70,72-77H,5-47H2,1-4H3,(H,66,71)(H,78,79)(H,80,81)(H,82,83)(H,84,85);1-2H3;2*1H4/p-6/t62-,63-,64+,65+,66+,67-,68?,69?,74?,75?,76?,77?,78?,79+,80+,81+,82?,131?;48?,49?,51?,52?,53?,54?,55?,56-,57-,58+,59+,60+,61-,62-,63-,64-,65?;;;/m01.../s1/i;;;1T;1D.
What are the key properties of [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane?
[2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane has a molecular weight of 3743.70 g/mol, XLogP of 13.40, 149 rotatable bonds, 15 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[6-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]-3-[3-[hydroxy(methyl)phosphoryl]oxypropoxy]propoxy]propyl phosphate;[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(hydroxymethyl)-3-(3-methoxypropoxy)propoxy]propyl phosphate;deuteriomethane;ethane;tritiomethane is sourced from PubChem (CID 159679902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).