a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide

C152H92O24P4 — CID 102303491

About a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide

a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide (PubChem CID 102303491) has the molecular formula C152H92O24P4 and a molecular weight of 2426.28 g/mol. Its IUPAC name is a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide.

Molecular Properties

• Compound Name: a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide
• PubChem CID: 102303491
• Molecular Formula: C152H92O24P4
• Molecular Weight: 2426.28 g/mol
• Exact Mass: 2424.49
• IUPAC Name: a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide
• SMILES: O=P1(O)Oc2c3cc4ccc(OCc5ccccc5)cc4c2-c2c(c(cc4ccc(OCc5ccccc5)cc24)C#CC#Cc2cc4ccc(OCc5ccccc5)cc4c4c2OP(=O)(O)Oc2c(cc5ccc(OCc6ccccc6)cc5c2-4)C#CC#Cc2cc4ccc(OCc5ccccc5)cc4c4c2OP(=O)(O)Oc2c(cc5ccc(OCc6ccccc6)cc5c2-4)C#CC#Cc2cc4ccc(OCc5ccccc5)cc4c4c2OP(=O)(O)Oc2c(cc5ccc(OCc6ccccc6)cc5c2-4)C#CC#C3)O1
• InChI: InChI=1S/C152H92O24P4/c153-177(154)169-145-113-49-25-26-51-115-75-107-59-67-123(163-91-99-37-13-3-14-38-99)83-131(107)139-140-133-85-125(165-93-101-41-17-5-18-42-101)69-61-109(133)77-117(149(140)173-178(155,156)171-147(115)139)53-29-30-55-119-79-111-63-71-127(167-95-103-45-21-7-22-46-103)87-135(111)143-144-136-88-128(168-96-104-47-23-8-24-48-104)72-64-112(136)80-120(152(144)176-180(159,160)175-151(119)143)56-32-31-54-118-78-110-62-70-126(166-94-102-43-19-6-20-44-102)86-134(110)142-141-132-84-124(164-92-100-39-15-4-16-40-100)68-60-108(132)76-116(148(141)172-179(157,158)174-150(118)142)52-28-27-50-114-74-106-58-66-122(162-90-98-35-11-2-12-36-98)82-130(106)138(146(114)170-177)137(145)129-81-121(65-57-105(129)73-113)161-89-97-33-9-1-10-34-97/h1-24,33-48,57-88H,89-96H2,(H,153,154)(H,155,156)(H,157,158)(H,159,160)
• InChIKey: ZRTBSYRYKWNDTR-UHFFFAOYSA-N
• XLogP: 33.62
• TPSA: 296.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.28
LogP ≤ 5	33.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide?

The IUPAC name of a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide (CID 102303491) is a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide.

What is the SMILES notation for a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide?

The canonical SMILES for a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide is O=P1(O)Oc2c3cc4ccc(OCc5ccccc5)cc4c2-c2c(c(cc4ccc(OCc5ccccc5)cc24)C#CC#Cc2cc4ccc(OCc5ccccc5)cc4c4c2OP(=O)(O)Oc2c(cc5ccc(OCc6ccccc6)cc5c2-4)C#CC#Cc2cc4ccc(OCc5ccccc5)cc4c4c2OP(=O)(O)Oc2c(cc5ccc(OCc6ccccc6)cc5c2-4)C#CC#Cc2cc4ccc(OCc5ccccc5)cc4c4c2OP(=O)(O)Oc2c(cc5ccc(OCc6ccccc6)cc5c2-4)C#CC#C3)O1.

What is the InChIKey of a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide?

The InChIKey is ZRTBSYRYKWNDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H92O24P4/c153-177(154)169-145-113-49-25-26-51-115-75-107-59-67-123(163-91-99-37-13-3-14-38-99)83-131(107)139-140-133-85-125(165-93-101-41-17-5-18-42-101)69-61-109(133)77-117(149(140)173-178(155,156)171-147(115)139)53-29-30-55-119-79-111-63-71-127(167-95-103-45-21-7-22-46-103)87-135(111)143-144-136-88-128(168-96-104-47-23-8-24-48-104)72-64-112(136)80-120(152(144)176-180(159,160)175-151(119)143)56-32-31-54-118-78-110-62-70-126(166-94-102-43-19-6-20-44-102)86-134(110)142-141-132-84-124(164-92-100-39-15-4-16-40-100)68-60-108(132)76-116(148(141)172-179(157,158)174-150(118)142)52-28-27-50-114-74-106-58-66-122(162-90-98-35-11-2-12-36-98)82-130(106)138(146(114)170-177)137(145)129-81-121(65-57-105(129)73-113)161-89-97-33-9-1-10-34-97/h1-24,33-48,57-88H,89-96H2,(H,153,154)(H,155,156)(H,157,158)(H,159,160).

What are the key properties of a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide?

a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide has a molecular weight of 2426.28 g/mol, XLogP of 33.62, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for a,19,46,73-tetrahydroxy-6a,13,25,40,52,67,79,94-octakis(phenylmethoxy)-1a,18,20,45,47,72,74,99-octaoxa-aλ5,19λ5,46λ5,73λ5-tetraphosphahenicosacyclo[102.4.0.03,102.08,17.010,15.016,22.021,30.023,28.035,44.037,42.043,49.048,57.050,55.062,71.064,69.070,76.075,84.077,82.089,98.091,96.097,103]octahecta-1,2a(3),3a(4a),5a(6a),7a(8a),8(17),9,11,13,15,21(30),22,24,26,28,35(44),36,38,40,42,48(57),49,51,53,55,62(71),63,65,67,69,75(84),76,78,80,82,89(98),90,92,94,96-tetracontaen-4,6,31,33,58,60,85,87-octayne a,19,46,73-tetraoxide is sourced from PubChem (CID 102303491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).