(E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium

C27H37N8O8P — CID 142752285

About (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium

(E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium (PubChem CID 142752285) has the molecular formula C27H37N8O8P and a molecular weight of 632.62 g/mol. Its IUPAC name is (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium.

Molecular Properties

• Compound Name: (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium
• PubChem CID: 142752285
• Molecular Formula: C27H37N8O8P
• Molecular Weight: 632.62 g/mol
• Exact Mass: 632.25
• IUPAC Name: (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium
• SMILES: CC(C)OC(=O)[C@H](C)N/N=[P+](\[O-])Oc1ccc(OC[C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(N)nc43)[C@](C)(O)[C@@H]2O)cc1
• InChI: InChI=1S/C27H37N8O8P/c1-14(2)41-24(37)15(3)33-34-44(39)43-18-9-7-17(8-10-18)40-12-19-21(36)27(4,38)25(42-19)35-13-30-20-22(29-11-16-5-6-16)31-26(28)32-23(20)35/h7-10,13-16,19,21,25,33,36,38H,5-6,11-12H2,1-4H3,(H3,28,29,31,32)/t15-,19+,21+,25+,27+/m0/s1
• InChIKey: JRBUQTCQTZHUKR-FTGDFLNCSA-N
• XLogP: 1.40
• TPSA: 223.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.62
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium?

The IUPAC name of (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium (CID 142752285) is (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium.

What is the SMILES notation for (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium?

The canonical SMILES for (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium is CC(C)OC(=O)[C@H](C)N/N=[P+](\[O-])Oc1ccc(OC[C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(N)nc43)[C@](C)(O)[C@@H]2O)cc1.

What is the InChIKey of (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium?

The InChIKey is JRBUQTCQTZHUKR-FTGDFLNCSA-N. The full InChI is InChI=1S/C27H37N8O8P/c1-14(2)41-24(37)15(3)33-34-44(39)43-18-9-7-17(8-10-18)40-12-19-21(36)27(4,38)25(42-19)35-13-30-20-22(29-11-16-5-6-16)31-26(28)32-23(20)35/h7-10,13-16,19,21,25,33,36,38H,5-6,11-12H2,1-4H3,(H3,28,29,31,32)/t15-,19+,21+,25+,27+/m0/s1.

What are the key properties of (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium?

(E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium has a molecular weight of 632.62 g/mol, XLogP of 1.40, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-[4-[[(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxido-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]hydrazinylidene]phosphanium is sourced from PubChem (CID 142752285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).